2-Pyridinecarboxamide, 4-chloro-N-methyl-, hydrochloride (1:1)

C₇H₈Cl₂N₂OCAS 882167-77-3207.05 g/mol

Open in Covalent MOL file

Amide Aryl halide

Properties

Molecular formula: C₇H₈Cl₂N₂O
Molar mass: 207.05 g/mol
Exact mass: 206.0014 Da
logP: 1.52Crippen estimate
Polar surface area: 42.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, P501

Identifiers

CAS number

882167-77-3

SMILES

CNC(=O)c1cc(Cl)ccn1.Cl

InChIKey

XGHILPUCRYAWIN-UHFFFAOYSA-N

InChI

InChI=1S/C7H7ClN2O.ClH/c1-9-7(11)6-4-5(8)2-3-10-6;/h2-4H,1H3,(H,9,11);1H

Weigh it out

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

Names and synonyms

1 names

2-Pyridinecarboxamide, 4-chloro-N-methyl-, monohydrochloride

Work with 2-Pyridinecarboxamide, 4-chloro-N-methyl-, hydrochloride (1:1)

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

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.

4-Chloro-N-methylpicolinamide220000-87-3Free base

Similar compounds

Methyl 4-chloro-2-pyridinecarboxylate hydrochloride176977-85-859 % similar 4-Chloropyridine-2-carboxylic acid5470-22-451 % similar 4-Chloropyridine-2-carboxamide99586-65-951 % similar Methyl 4-chloropicolinate24484-93-351 % similar 4-(4-Aminophenoxy)-N-methylpicolinamide284462-37-949 % similar 4-(4-Amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide757251-39-144 % similar Telatinib332012-40-541 % similar 4,4'-Dichloro-2,2'-bipyridine1762-41-040 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook