4-Chloro-N-methylpicolinamide

C₇H₇ClN₂OCAS 220000-87-3170.60 g/mol

Open in Covalent MOL file

Amide Aryl halide

Properties

Molecular formula: C₇H₇ClN₂O
Molar mass: 170.60 g/mol
Exact mass: 170.0247 Da
Melting point: 41–42 °C
logP: 1.09Crippen estimate
Polar surface area: 42.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed25% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation87.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

220000-87-3

SMILES

CNC(=O)c1cc(Cl)ccn1

InChIKey

BGVBBMZMEKXUTR-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

6 names

2-Pyridinecarboxamide, 4-chloro-N-methyl-
4-Chloro-N-methyl-2-pyridinecarboxamide
2-(N-Methylcarbamoyl)-4-chloropyridine
N-Methyl-4-chloro-2-pyridinecarboxamide
N-Methyl-4-chloropicolinamide
4-Chloropyridine-2-carboxylic acid methylamide

Work with 4-Chloro-N-methylpicolinamide

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.

2-Pyridinecarboxamide, 4-chloro-N-methyl-, hydrochloride (1:1)882167-77-3Salt

Similar compounds

4-Chloropyridine-2-carboxylic acid5470-22-454 % similar 4-Chloropyridine-2-carboxamide99586-65-954 % similar Methyl 4-chloropicolinate24484-93-354 % similar Methyl 4-chloro-2-pyridinecarboxylate hydrochloride176977-85-854 % similar 4-(4-Aminophenoxy)-N-methylpicolinamide284462-37-951 % similar 4-(4-Amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide757251-39-146 % similar 4,4'-Dichloro-2,2'-bipyridine1762-41-042 % similar Telatinib332012-40-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(2-Chloropyridin-4-yl)acetamide13602-82-9 4-Chlorophenylurea140-38-5 3-Chlorobenzohydrazide1673-47-8 3-Amino-4-chlorobenzamide19694-10-1 4-Chlorobenzamidoxime5033-28-3 2-Amino-5-chlorobenzamide5202-85-7 4-Chlorobenzoic acid hydrazide536-40-3 2-Chlorobenzoic acid hydrazide5814-05-1

Elsewhere

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