4-Chloro-3-methylpyridine
Properties
- Molecular formula
- C6H6ClN
- Molar mass
- 127.57 g/mol
- Exact mass
- 127.0189 Da
- logP
- 2.04Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H314 Causes severe skin burns and eye damage100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, P501
Identifiers
CAS number
1681-36-3SMILES
CC1=C(C=CN=C1)ClInChIKey
DZNXMHJMXLSNIR-UHFFFAOYSA-NInChI
InChI=1S/C6H6ClN/c1-5-4-8-3-2-6(5)7/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-Chloro-3-methylpyridine
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
3-Chloro-4-methylpyridine72093-04-068 % similar
3,4-Dichloropyridine55934-00-458 % similar
3,4-Dimethylpyridine583-58-458 % similar
4-Bromo-3-methylpyridine10168-00-050 % similar
4-Chloro-3-pyridinamine20511-15-350 % similar
4-Chloro-3-fluoropyridine2546-56-750 % similar
3-Bromo-4-chloropyridine36953-42-150 % similar
3-Chloro-4-iodopyridine77332-79-750 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.