2-Chloro-4-methylpyridine
Properties
- Molecular formula
- C6H6ClN
- Molar mass
- 127.57 g/mol
- Exact mass
- 127.0189 Da
- Melting point
- 115 °C
- Boiling point
- 192 °C
- logP
- 2.04Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.7% of notifiers
Aggregated from 43 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
3678-62-4SMILES
Cc1ccnc(Cl)c1InChIKey
MZVSTDHRRYQFGI-UHFFFAOYSA-NInChI
InChI=1S/C6H6ClN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Pyridine, 2-chloro-4-methyl-
- 4-Picoline, 2-chloro-
- 2-Chloro-4-picoline
Work with 2-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
4,4′-Dimethyl-2,2′-bipyridine1134-35-656 % similar
2,4-Lutidine108-47-454 % similar
2,4-Dichloropyridine26452-80-254 % similar
2,6-Dichloro-4-methylpyridine39621-00-652 % similar
4-Amino-2-chloropyridine14432-12-350 % similar
2-Chloro-4-iodopyridine153034-86-750 % similar
2-Chloro-4-methoxypyridine17228-69-250 % similar
2-Chloro-4(1H)-pyridinone17368-12-650 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.