chempirical

(5-Methylpyridin-3-yl)methanol

C7H9NOCAS 102074-19-1123.15 g/mol

Open in Covalent MOL file
NOH
Alcohol

Properties

Molecular formula
C7H9NO
Molar mass
123.15 g/mol
Exact mass
123.0684 Da
logP
0.88Crippen estimate
Polar surface area
33.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
102074-19-1
SMILES
CC1=CC(=CN=C1)CO
InChIKey
MRQAYFYTWNIVFN-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO/c1-6-2-7(5-9)4-8-3-6/h2-4,9H,5H2,1H3

Weigh it out

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

Work with (5-Methylpyridin-3-yl)methanol

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-Dimethylbenzyl alcohol27129-87-958 % similar 3,5-Lutidine591-22-054 % similar 5-Fluoro-3-pyridinemethanol22620-32-253 % similar (5-Bromo-3-pyridinyl)methanol37669-64-053 % similar 3-Methylbenzyl alcohol587-03-150 % similar 3-Hydroxy-5-methylpyridine42732-49-048 % similar 5-Pyrimidinemethanol25193-95-748 % similar 4-Methylbenzyl alcohol589-18-446 % similar

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

Same formula

2-Methoxy-4-methylpyridine100848-70-2 2-Pyridineethanol103-74-2 P-Anisidine104-94-9 2,6-Dimethylpyridine N-oxide1073-23-0 2,6-Dimethyl-3-pyridinol1122-43-6 6-Methyl-2-pyridinemethanol1122-71-0 2-Methoxy-5-picoline13472-56-5 2,6-Dimethyl-4-pyridinol13603-44-6

Elsewhere

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