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Molecule
ID:13751
Structure
Similarity
Functional Group
Text
General Information
Structure
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Molecular Formula
C₅H₄BrNO
Molecular Mass
173.99536
Exact Mass
172.94762575
Charge
0
InChI
InChI=1S/C5H4BrNO/c6-5-4(8)2-1-3-7-5/h1-3,8H
InChIKey
YKHQFTANTNMYPP-UHFFFAOYSA-N
Canonic Smiles
Oc1cccnc1Br
Isomeric Smiles
c1cnc(c(c1)O)Br
Calculated Properties
JChem
Acid pKa
7.28932
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4193726
LogD (pH = 7.4)
1.0781567
Log P
1.4262828
Molar Refractivity
34.347
Polarizability
13.050833
Polar Surface Area
33.12
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
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RDKit
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JChem
Data Source
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Commercial Catalog
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Academic Data
Names and Identifiers
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IUPAC Traditional name
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Synonyms
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IUPAC name
Registration numbers
Properties
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Physical Property
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Safety Information
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Product Information
Related Proteins
Molecular Spectra
Molecule Details
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MP Biomedicals
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Sigma Aldrich
References
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PubChem Literature
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From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
OR6410
Matrix Scientific
011228
Adesis
2-302
MP Biomedicals
05222944
InterBioScreen
BB_SC-4833
Sigma Aldrich
116173
18292
Chemik
CHH02300
Bide Pharmatech
BD2582
Alfa Aesar
A12687
A&J Pharmtech
AJA-O16142
AJA-O38324
Academic Data
PubChem
23070
Names and Identifiers
IUPAC Traditional name
3-pyridinol, 2-bromo-
Synonyms
2-BROMO-3-HYDROXY PYRIDINE
2-Bromo-pyridin-3-ol
2-Bromo-3-hydroxypyridine
2-Bromo-3-hydroxypyridine
2-溴-3-吡啶醇
2-Bromo-3-pyridinol
2-溴-3-羟基吡啶
2-Bromo-3-hydroxypyridine 99%
2-Bromopyridin-3-ol
2-bromopyridin-3-ol
2-Bromo-3-pyridinol
2-溴-3-羟基吡啶
2-Bromo-3-hydroxypyridine
IUPAC name
2-bromopyridin-3-ol
Registration numbers
CAS Number
6602-32-0
MDL Number
MFCD00006220
Beilstein Number
109829
EC Number
229-547-5
PubChem SID
24851022
24847268
160977058
PubChem CID
23070
Properties
Physical Property
Melting Point
185-188°C
Source
185-188 °C(lit.)
Source
183-186 °C
Source
182-186°C
Source
Safety Information
RTECS
UU7705000
Source
Storage Warning
IRRITANT
Source
Irritant/Light Sensitive
Source
MSDS Link
Download link
Source
Download link
Source
Download link
Source
Download link
Source
TSCA Listed
false
Source
否
Source
GHS Signal Word
Warning
Source
European Hazard Symbols
Irritant (Xi)
Source
Risk Statements
36/37/38
Source
GHS Precautionary statements
P261
-
P305+P351+P338
Source
P280G-
P305+P351+P338
Source
GHS Hazard statements
H315
-
H319
-
H335
Source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Source
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
Safety Statements
26
-
36
Source
26
-
37
Source
German water hazard class
3
Source
Product Information
Purity
99%
Source
≥98.0% (AT)
Source
98%
Source
97%
Source
Certificate of Analysis
Download link
Source
Empirical Formula (Hill Notation)
C5H4BrNO
Source
Grade
purum
Source
Molecule Details
MP Biomedicals
05222944
MP Biomedicals Rare Chemical collection
Sigma Aldrich
116173
Packaging
5, 25 g in glass bottle
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Registration numbers
•
CAS Number
•
MDL Number
•
Beilstein Number
•
EC Number
•
PubChem SID
•
PubChem CID
Irritant (Xi)