Methyl 2-chloroisonicotinate
Properties
- Molecular formula
- C7H6ClNO2
- Molar mass
- 171.58 g/mol
- Exact mass
- 171.0087 Da
- Melting point
- 33–34 °C
- Boiling point
- 84–88 °C (at 15 Torr)
- logP
- 1.52Crippen estimate
- Polar surface area
- 39.2 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 1
Hazards
Danger
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage93.2% of notifiers
- H335 May cause respiratory irritation97.7% of notifiers
Aggregated from 44 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
58481-11-1SMILES
COC(=O)c1ccnc(Cl)c1InChIKey
KKOUHTMLFUAAGG-UHFFFAOYSA-NInChI
InChI=1S/C7H6ClNO2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 4-Pyridinecarboxylic acid, 2-chloro-, methyl ester
- Methyl 2-chloro-4-pyridinecarboxylate
- 2-Chloropyridine-4-carboxylic acid methyl ester
- 2-Chloroisonicotinic acid methyl ester
- Methyl 2-chloropyridine-4-carboxylate
Work with Methyl 2-chloroisonicotinate
Similar compounds
tert-Butyl 2-chloropyridine-4-carboxylate295349-62-166 % similar
Methyl 2,6-dichloroisonicotinate42521-09-565 % similar
2-Bromo-isonicotinic acid methyl ester26156-48-962 % similar
Methyl 2-aminopyridine-4-carboxylate6937-03-762 % similar
Trimethyl 2,2':6',2''-terpyridine-4,4',4''-tricarboxylate330680-46-161 % similar
Methyl 6-chloropyridine-3-carboxylate73781-91-659 % similar
Methyl 2-acetylpyridine-4-carboxylate138715-82-959 % similar
1-(2-Chloro-pyridin-4-yl)-ethanone23794-15-258 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.