3-Pyridinemethanol
Properties
- Molecular formula
- C6H7NO
- Molar mass
- 109.13 g/mol
- Exact mass
- 109.0528 Da
- Melting point
- −6.5 °C
- Boiling point
- 266 °C
- logP
- 0.57Crippen estimate
- Polar surface area
- 33.1 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation91.7% of notifiers
- H319 Causes serious eye irritation98.3% of notifiers
- H335 May cause respiratory irritation86.7% of notifiers
Aggregated from 60 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
100-55-0SMILES
OCc1cccnc1InChIKey
MVQVNTPHUGQQHK-UHFFFAOYSA-NInChI
InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
16 names · show all
- RO-1-5155
- Nicotinic alcohol
- Nicotinyl alcohol
- β-Pyridylcarbinol
- Roniacol
- β-Pyridinecarbinol
- 3-Pyridylmethanol
- Pyridine-3-carbinol
- 3-Pyridylcarbinol
- β-Picolyl alcohol
- 3-(Hydroxymethyl)pyridine
- Nu-2121
- 3-Pyridinylmethanol
- NSC 526046
- 5-(Hydroxymethyl)pyridine
- 3-Pyridyl carbinal
Work with 3-Pyridinemethanol
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3-Pyridineethanol6293-56-763 % similar
3-Pyridinepropanol2859-67-859 % similar
3-Pyridinemethanamine3731-52-056 % similar
3-Ethylpyridine536-78-756 % similar
3-Benzylpyridine620-95-156 % similar
N-Methyl-3-pyridinemethanamine20173-04-055 % similar
5-Pyrimidinemethanol25193-95-752 % similar
4-Pyridinemethanol586-95-852 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.