3-Chloro-4-methylpyridine
Properties
- Molecular formula
- C6H6ClN
- Molar mass
- 127.57 g/mol
- Exact mass
- 127.0189 Da
- Boiling point
- 178 °C
- logP
- 2.04Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 41 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
72093-04-0SMILES
Cc1ccncc1ClInChIKey
VLNXNJMHLZFECV-UHFFFAOYSA-NInChI
InChI=1S/C6H6ClN/c1-5-2-3-8-4-6(5)7/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Pyridine, 3-chloro-4-methyl-
- 4-Picoline, 3-chloro-
- 3-Chloro-4-picoline
Work with 3-Chloro-4-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
4-Chloro-3-methylpyridine hydrochloride19524-08-461 % similar
3,4-Dichloropyridine55934-00-458 % similar
3,4-Dimethylpyridine583-58-458 % similar
3-Chloro-4-iodopyridine77332-79-756 % similar
3-Hydroxy-4-methylpyridine1121-19-350 % similar
4-Amino-3-chloropyridine19798-77-750 % similar
3-Bromo-4-methylpyridine3430-22-650 % similar
3-Amino-4-methylpyridine3430-27-150 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.