2-Chloro-3-methylpyridine
Properties
- Molecular formula
- C6H6ClN
- Molar mass
- 127.57 g/mol
- Exact mass
- 127.0189 Da
- Melting point
- 193 °C
- Boiling point
- 188–191 °C
- logP
- 2.04Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed12.8% of notifiers
- H312 Harmful in contact with skin12.8% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled12.8% of notifiers
- H335 May cause respiratory irritation97.9% of notifiers
Aggregated from 47 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
18368-76-8SMILES
Cc1cccnc1ClInChIKey
RKVUCIFREKHYTL-UHFFFAOYSA-NInChI
InChI=1S/C6H6ClN/c1-5-3-2-4-8-6(5)7/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Pyridine, 2-chloro-3-methyl-
- 3-Picoline, 2-chloro-
- 2-Chloro-3-picoline
Work with 2-Chloro-3-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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2-Chloro-3-iodopyridine78607-36-056 % similar
2,3-Dichloropyridine2402-77-954 % similar
2,3-Lutidine583-61-954 % similar
8-Methylquinoline611-32-554 % similar
2-Iodo-3-methylpyridine22282-58-252 % similar
2-Fluoro-3-methylpyridine2369-18-852 % similar
3-Bromo-2-chloropyridine52200-48-352 % similar
2-Hydroxy-3-methylpyridine1003-56-150 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.