2-Chloro-3-pyridinemethanol

C₆H₆ClNOCAS 42330-59-6143.57 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₆H₆ClNO
Molar mass: 143.57 g/mol
Exact mass: 143.0138 Da
Melting point: 62–63 °C
logP: 1.23Crippen estimate
Polar surface area: 33.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled86.4% of notifiers
H301 Toxic if swallowed88.6% of notifiers
H311 Toxic in contact with skin88.6% of notifiers
H315 Causes skin irritation95.5% of notifiers
H319 Causes serious eye irritation95.5% of notifiers
H331 Toxic if inhaled88.6% of notifiers
H335 May cause respiratory irritation95.5% of notifiers
H412 Harmful to aquatic life with long lasting effects86.4% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

42330-59-6

SMILES

OCc1cccnc1Cl

InChIKey

HMPDWSBKPCOQDW-UHFFFAOYSA-N

InChI

InChI=1S/C6H6ClNO/c7-6-5(4-9)2-1-3-8-6/h1-3,9H,4H2

Weigh it out

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

Names and synonyms

5 names

3-Pyridinemethanol, 2-chloro-
2-Chloro-3-pyridylmethanol
2-Chloro-3-hydroxymethylpyridine
(2-Chloro-3-pyridinyl)methanol
(2-Chloropyridin-3-yl)methanol

Work with 2-Chloro-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(2-Chloropyridin-3-yl)methanamine205744-14-560 % similar 2-Chloro-3-pyridineacetic acid61494-55-156 % similar 2-Fluoro-3-pyridinemethanol131747-55-255 % similar (2-Aminopyridin-3-yl)methanol23612-57-955 % similar 2-Chloro-3-pyridineacetonitrile101012-32-255 % similar 2-(Methylamino)-3-pyridinemethanol32399-12-552 % similar 2-Methoxy-3-pyridinemethanol112197-16-750 % similar (2,6-Dichloro-3-pyridinyl)methanol55304-90-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2-Chloropyridin-4-yl)methanol100704-10-7 3-Chloro-2-methoxypyridine13472-84-9 5-Chloro-2-methoxypyridine13473-01-3 2-Chloro-5-methoxypyridine139585-48-1 3-Amino-4-chlorophenol16026-77-0 2-Chloro-6-methoxypyridine17228-64-7 2-Chloro-4-methoxypyridine17228-69-2 4-Amino-3-chlorophenol17609-80-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook