3-Amino-4-hydroxypyridine

HCID 233392

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Basic information

CAS: 6320-39-4
Standard SMILES: Nc1c[nH]ccc1=O
InChIKey: OIIBRAGQGFLUFI-UHFFFAOYSA-N
Molecular formula: C5H6N2O
Average molar mass: 110.116 g/mol
Monoisotopic mass: 110.04801281

Names & identifiers

Preferred name: 3-Amino-4-hydroxypyridine
IUPAC: 3-Aminopyridin-4(1H)-one
English name: 3-Amino-4-pyridinol
Molecular formula: C5H6N2O
Molecular weight: 110.11

Names & synonyms

3-AMINO-4-HYDROXYPYRIDINE4-Hydroxy-3-Amino3-amino-4-pyridone3-amino-4-pyridinol3-AMINO-PYRIDIN-4-OL4-Pyridinol, 3-amino-3-amino-1H-pyridin-4-one3-amino-4-hydroxyyridine3-azanyl-1H-pyridin-4-one4-HYDROXY-3-AMINO PYRIDINE

Database identifiers

CAS: 6320-39-4
PubChem CID: 233392
DTXSID: DTXSID50283503
UNII: 993TPH4JZ6
EC Number: 676-800-4
Nikkaji: J1.332.124H、J790.053H

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 169

Physicochemical properties

Melting point: 145 · 145-149°C
Boiling point: 508.9 · 508.9±35.0 °C(Predicted)
Density: 1.32 · 1.320±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 5.04 · 5.04±0.18(Predicted)
color: Light yellow to Brown
InChI: InChI=1S/C5H6N2O/c6-4-3-7-2-1-5(4)8/h1-3H,6H2,(H,7,8)
InChIKey: OIIBRAGQGFLUFI-UHFFFAOYSA-N
SMILES: C1=NC=CC(O)=C1N
CAS DataBase Reference: 6320 · 6320-39-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-40-41-37/38-22
Safety Statements: 22 · 22-26-36-39-37
HazardClass: IRRITANT
HS Code: 29333999 · 29333999

Safety & regulation

Safety data

hs_code: 29333999
risk_code: 36/37/38-40-41-37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 22-26-36-39-37
hazard_class: IRRITANT
Hazard statements: H335-H315-H319
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313