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Molecule
ID:50869
Structure
Similarity
Functional Group
Text
General Information
Structure
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Molecular Formula
C₅H₆N₂O
Molecular Mass
110.11394
Exact Mass
110.04801282
Charge
0
InChI
InChI=1S/C5H6N2O/c6-4-3-7-2-1-5(4)8/h1-3H,6H2,(H,7,8)
InChIKey
OIIBRAGQGFLUFI-UHFFFAOYSA-N
Canonic Smiles
Nc1cnccc1O
Isomeric Smiles
c1c(c(ccn1)O)N
Calculated Properties
JChem
Acid pKa
10.871962
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.37980503
LogD (pH = 7.4)
-0.37709892
Log P
-0.3769179
Molar Refractivity
30.5824
Polarizability
11.184536
Polar Surface Area
59.14
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
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Molecule Details
暂无数据
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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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Academic Data
Names and Identifiers
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IUPAC Traditional name
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IUPAC name
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Synonyms
Registration numbers
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MDL Number
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CAS Number
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PubChem CID
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PubChem SID
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
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
OR3719
Matrix Scientific
054395
InterBioScreen
BB_SC-4743
Enamine
EN300-42089
Alfa Aesar
H27205
A&J Pharmtech
AJA-O33557
Academic Data
PubChem
233392
Names and Identifiers
IUPAC Traditional name
3-aminopyridin-4-ol
IUPAC name
3-aminopyridin-4-ol
Synonyms
3-Amino-4-hydroxypyridine
3-氨基-4-羟基吡啶水合物
3-Amino-4-hydroxypyridine hydrate
3-Amino-4-pyridinol
3-Amino-4(1H)-pyridone
3-aminopyridin-4-ol
Registration numbers
MDL Number
MFCD04114230
CAS Number
6320-39-4
33631-05-9
PubChem CID
233392
PubChem SID
162055632
Properties
Physical Property
Melting Point
145-149°C
Source
156 - 158°C
Source
145-149°C
Source
Hydrophobicity(logP)
0.975
Source
Safety Information
MSDS Link
Download link
Source
Storage Warning
IRRITANT
Source
Harmful/Irritant/Store under Argon
Source
TSCA Listed
false
Source
否
Source
Safety Statements
26
-
37
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
European Hazard Symbols
Irritant (Xi)
Source
GHS Precautionary statements
P261
-
P305+P351+P338
-
P302+P352
-
P321
-
P405
-P501A
Source
GHS Hazard statements
H315
-
H319
-
H335
Source
Product Information
Purity
98%
Source
95%
Source
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Irritant (Xi)