(5-Methylpyridin-3-yl)methanol
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
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
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
102074-19-1SMILES
CC1=CC(=CN=C1)COInChIKey
MRQAYFYTWNIVFN-UHFFFAOYSA-NInChI
InChI=1S/C7H9NO/c1-6-2-7(5-9)4-8-3-6/h2-4,9H,5H2,1H3Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 8.37 (d, J = 1.8 Hz, 1H), 8.34 (d, J = 1.8 Hz, 1H), 7.43 (t, J = 1.8 Hz, 1H), 4.71 (s, 2H), 2.35 (s, 3H), 2.00 (br s, 1H).¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 149.7, 145.5, 136.1, 135.2, 133.2, 65.5, 19.8.[M + H]+
[M + H]+ Calcd for C7H10NO 124.0757[M + Na]+
[M + Na]+ Calcd for C7H9NNaO 146.0576[M − H]−
[M − H]− Calcd for C7H8NO 122.0611Elemental analysis
Anal. Calcd for C7H9NO: C, 68.27; H, 7.37; N, 11.37.Weigh it out
Type any one amount. The others follow from the molar mass.
Work with (5-Methylpyridin-3-yl)methanol
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.