CAS 33630-99-8 3-Amino-2-pyridinol (HCID 322353)

Names & identifiers

Preferred name: 3-Amino-2-pyridinol
IUPAC: 3-amino-1H-pyridin-2-one
English name: 3-Amino-2(1H)-pyridinone
Molecular formula: C5H6N2O
Molecular weight: 110.11

Names & synonyms

3-Amino-2-pyridinol2(1H)-Pyridinone, 3-amino-DTXSID70187317NSC 279497RefChem:497077DTXCID80109808675-803-83-Amino-2-hydroxypyridine33630-99-83-aminopyridin-2-ol59315-44-53-aminopyridin-2(1H)-one

Show more names

3-Amino-2-pyridone >3-Amino-2-pyridinol,97%3-Amino-2(1H)-pyridinone2-HYDROXY-3-AMINO PYRIDINE

3-amino-1H-pyridin-2-one2-Pyridinol, 3-amino-3-Amino-2-pyridone3-Amino-2-pyridinone3-amino-pyridin-2-olMFCD03411556Aminopyridinol2-HYDROXY-3-AMINOPYRIDINE

Database identifiers

CAS: 33630-99-8
PubChem CID: 322353
DTXSID: DTXSID70187317
ChEMBL: CHEMBL4286709
UNII: ER85UN5LYN
EC Number: 675-803-8
Nikkaji: J1.332.127B

Properties

Computed structural properties

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

Physicochemical properties

Melting point: 118 · 118-130 °C
Boiling point: 206.4 °C · 206.4°C (rough estimate)
Density: 1.2111 · 1.2111 (rough estimate)
refractive index: 1.48 · 1.4800 (estimate)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: Powder
pka: 13.87 · 13.87±0.10(Predicted)
color: Dark brown to black
Water Solubility: Slightly soluble in water.
InChI: InChI=1S/C5H6N2O/c6-4-2-1-3-7-5(4)8/h1-3H,6H2,(H,7,8)
InChIKey: VTSFNCCQCOEPKF-UHFFFAOYSA-N
SMILES: C1(=O)NC=CC=C1N
CAS DataBase Reference: 33630 · 33630-99-8(CAS DataBase Reference)
FDA UNII: 85 UN5LYN · ER85UN5LYN
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H335
Precautionary statements: 261 · P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
target organs: Respiratory system
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 37 · 37/39-26-36
WGK Germany: 3 · WGK 3
HazardClass: IRRITANT
HS Code: 29333999 · 29333999
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (14.3%)

Safety data

wgk: WGK 3
hs_code: 29333999
risk_code: 36/37/38-20/21/22
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi,Xn
safety_code: 37/39-26-36
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H315-H318-H335
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses3-Amino-2-hydroxypyridine has been used as a reactant in the preparation of benzothiazolyl hydroxyindolinylphenyl ureas as potent P2Y1 antagonists.

UsesIt is used as pharmaceutical intermediate. It is involved in synthesis of functionalized pyrido[4,3-b][1,4]oxazine and imidazo[1,2-a]pyridine derivatives. The use of ethyl 2-chloro-3-oxopropanoate with 2-amino-3-hydroxypyridine or 3-amino-4-hydroxypyridine led, respectively, to imidazo[1,2-a]pyridine derivatives or ethyl pyrido[4,3-b][1,4] oxazine-2-carboxylate.