3-Amino-2(1H)-pyridinone

C₅H₆N₂OCAS 33630-99-8110.12 g/mol

Open in Covalent MOL file

Phenol Primary amine

Properties

Molecular formula: C₅H₆N₂O
Molar mass: 110.12 g/mol
Exact mass: 110.0480 Da
Melting point: 129 °C
logP: 0.37Crippen estimate
Polar surface area: 59.1 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed14.3% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage28.6% of notifiers
H319 Causes serious eye irritation71.4% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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, P501

Identifiers

CAS number

33630-99-8

SMILES

Nc1cccnc1O

InChIKey

VTSFNCCQCOEPKF-UHFFFAOYSA-N

InChI

InChI=1S/C5H6N2O/c6-4-2-1-3-7-5(4)8/h1-3H,6H2,(H,7,8)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names

2(1H)-Pyridinone, 3-amino-
2-Pyridinol, 3-amino-
3-Amino-2-pyridinol
2-Hydroxy-3-aminopyridine
3-Amino-2-pyridinone
3-Amino-2-hydroxypyridine
3-Amino-2-pyridone
3-Aminopyridin-2(1H)-one
NSC 279497
3-Amino-1H-pyridin-2-one
3-Amino-1,2-dihydropyridin-2-one

Work with 3-Amino-2(1H)-pyridinone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3-Amino-2-pyridinol59315-44-5

Similar compounds

2,3-Dihydroxypyridine16867-04-254 % similar 2,3-Diaminopyridine452-58-454 % similar 2,3-Pyridinediol84719-32-454 % similar 3-Bromo-2(1H)-pyridinone13466-43-852 % similar 2-Methoxy-3-pyridinamine20265-38-752 % similar 2-Hydroxy-3-methylpyridine1003-56-150 % similar 2-Fluoropyridin-3-amine1597-33-750 % similar 3-Methoxy-2(1H)-pyridinone20928-63-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Methyl-1H-pyrazole-4-carbaldehyde112758-40-4 6-Methylpyridazin-3(2H)-one13327-27-0 1-Methyl-2-imidazolecarboxaldehyde13750-81-7 3-Hydroxypentanedinitrile13880-89-2 2-Aminopyridine N-oxide14150-95-9 4-Methylpyrimidin-2-ol hydrochloride15231-48-8 2-Amino-3-hydroxypyridine16867-03-1 1-Methyl-1H-imidazole-4-carbaldehyde17289-26-8

Elsewhere

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