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Molecule
ID:13656
Structure
Similarity
Functional Group
Text
General Information
Structure
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Molecular Formula
C₆H₇BrN₂
Molecular Mass
187.03718
Exact Mass
185.97926023
Charge
0
InChI
InChI=1S/C6H7BrN2/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3,(H2,8,9)
InChIKey
JDNCMHOKWINDKI-UHFFFAOYSA-N
Canonic Smiles
Nc1ncc(c(c1)C)Br
Isomeric Smiles
c1(cnc(cc1C)N)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2454984
LogD (pH = 7.4)
1.7879245
Log P
1.8032789
Molar Refractivity
41.579
Polarizability
15.195717
Polar Surface Area
38.91
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
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Academic Data
Names and Identifiers
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IUPAC name
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Synonyms
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IUPAC Traditional name
Registration numbers
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
Properties
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Safety Information
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Physical Property
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Product Information
Related Proteins
Molecular Spectra
Molecule Details
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Sigma Aldrich
References
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
OR5570
Matrix Scientific
011092
Sigma Aldrich
576786
Enamine
EN300-97677
Bide Pharmatech
BD3579
Alfa Aesar
44623
A&J Pharmtech
AJA-O51
AJA-O16822
AJA-O34990
Academic Data
PubChem
817695
Names and Identifiers
IUPAC name
5-bromo-4-methylpyridin-2-amine
Synonyms
2-Amino-5-bromo-4-methylpyridine
2-Amino-5-bromo-4-methylpyridine 98%
5-bromo-4-methylpyridin-2-amine
2-氨基-5-溴-4-甲基吡啶
2-Amino-5-bromo-4-methylpyridine
5-Bromo-4-methyl-2-pyridinamine
2-Amino-5-bromo-4-picoline
IUPAC Traditional name
5-bromo-4-methylpyridin-2-amine
Registration numbers
CAS Number
98198-48-2
MDL Number
MFCD03427660
PubChem SID
24880884
160976963
PubChem CID
817695
Properties
Safety Information
TSCA Listed
false
Source
否
Source
MSDS Link
Download link
Source
Download link
Source
Storage Warning
IRRITANT
Source
Irritant/Light Sensitive/Store under Argon
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
Risk Statements
36/37/38
Source
20/21/22
-
36/37/38
Source
Safety Statements
26
-
36
Source
26
-
36/37
Source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Source
GHS Hazard statements
H315
-
H319
-
H335
Source
H302
-
H312
-
H332
-
H315
-
H319
-
H335
Source
German water hazard class
3
Source
GHS Signal Word
Warning
Source
GHS Precautionary statements
P261
-
P305+P351+P338
Source
P280H-
P305+P351+P338
Source
European Hazard Symbols
Irritant (Xi)
Source
Harmful (X)
Source
Physical Property
Melting Point
150-152°C
Source
147-152°C
Source
148-151 °C(lit.)
Source
148-151°C
Source
Hydrophobicity(logP)
1.803
Source
Apperance
Powder
Source
Product Information
Purity
97%
Source
98%
Source
95%
Source
Empirical Formula (Hill Notation)
C6H7BrN2
Source
Molecule Details
Sigma Aldrich
576786
Packaging
1, 5, 25 g in glass bottle
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Irritant (Xi)
Harmful (X)