2,6-Dichloro-4-methylpyridine-3-carboxylic acid

C₇H₅Cl₂NO₂CAS 62774-90-7206.02 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₇H₅Cl₂NO₂
Molar mass: 206.02 g/mol
Exact mass: 204.9697 Da
logP: 2.40Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 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

62774-90-7

SMILES

CC1=CC(=NC(=C1C(=O)O)Cl)Cl

InChIKey

QOSNTWMXACGOMD-UHFFFAOYSA-N

InChI

InChI=1S/C7H5Cl2NO2/c1-3-2-4(8)10-6(9)5(3)7(11)12/h2H,1H3,(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2,6-Dichloro-4-methyl-3-pyridinecarboxylic acid

Work with 2,6-Dichloro-4-methylpyridine-3-carboxylic acid

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Dichloro-4-methyl-3-pyridinecarboxamide38841-54-263 % similar 2-Chloro-6-methylpyridine-4-carboxylic acid25462-85-550 % similar 6-Chloro-4-methylpyridine-2-carboxylic acid324028-95-750 % similar 2,4,6-Trimethylbenzoic acid480-63-750 % similar 2,6-Dichloroisonicotinic acid5398-44-750 % similar 2-Chloro-6-methylbenzoic acid21327-86-649 % similar 2,6-Dichloronicotinic acid38496-18-349 % similar 4-Hydroxy-2,6-dimethylbenzoic acid75056-97-249 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-6-methoxyisonicotinoyl chloride116853-97-5 Chloramben133-90-4 2-Amino-4,5-dichlorobenzoic acid20776-61-8 4,6-Dichloroanthranilic acid20776-63-0 3,5-Dichloroanthranilic acid2789-92-6 1,3-Dichloro-2-methyl-4-nitrobenzene29682-46-0 3,6-Dichloroanthranilic acid3032-32-4 Methyl 2,6-dichloroisonicotinate42521-09-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook