3-Amino-2-pyridinol

C₅H₆N₂OCAS 59315-44-5110.12 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₅H₆N₂O
Molar mass: 110.12 g/mol
Exact mass: 110.0480 Da
logP: -0.04Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 2 / 2
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

59315-44-5

SMILES

C1=CNC(=O)C(=C1)N

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

1 names

3-Amino-2-hydroxypyridine

Work with 3-Amino-2-pyridinol

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(1H)-pyridinone33630-99-8

Similar compounds

3-Aminopyridine-2-thiol38240-21-056 % similar 3-Chloro-2-hydroxypyridine13466-35-850 % similar 3-Fluoro-2-hydroxypyridine1547-29-150 % similar 2-Hydroxy-3-methylpyridine91914-04-450 % similar 2-Hydroxynicotinaldehyde36404-89-447 % similar 2-Hydroxy-3-trifluoromethylpyridine22245-83-645 % similar 3-Amino-5-bromo-pyridin-2-ol98786-86-841 % similar O-Phenylenediamine95-54-539 % 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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