3-Hydroxy-5-methylpyridine

C₆H₇NOCAS 42732-49-0109.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₇NO
Molar mass: 109.13 g/mol
Exact mass: 109.0528 Da
logP: 1.10Crippen estimate
Polar surface area: 33.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

42732-49-0

SMILES

CC1=CC(=CN=C1)O

InChIKey

RYJNCIGFPWGVPA-UHFFFAOYSA-N

InChI

InChI=1S/C6H7NO/c1-5-2-6(8)4-7-3-5/h2-4,8H,1H3

Weigh it out

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

Work with 3-Hydroxy-5-methylpyridine

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

Similar compounds

3,5-Lutidine591-22-062 % similar 3-Fluoro-5-hydroxypyridine209328-55-254 % similar 3,5-Dimethylphenol108-68-952 % similar Orcinol504-15-452 % similar (5-Methylpyridin-3-yl)methanol102074-19-148 % similar 5-Methylpyridine-3-boronic acid173999-18-348 % similar 3-Bromo-5-methylpyridine3430-16-848 % similar 5-Methyl-3-pyridinamine3430-19-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Hydroxy-3-methylpyridine1003-56-1 4-Methylpyridine N-oxide1003-67-4 2-Hydroxy-5-methylpyridine1003-68-5 3-Methylpyridine N-oxide1003-73-2 3-Pyridinemethanol100-55-0 Phenylhydroxylamine100-65-2 3-Acetylpyrrole1072-82-8 2-Acetylpyrrole1072-83-9

Elsewhere

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