3-Chloro-4-methylpyridine

C₆H₆ClNCAS 72093-04-0127.57 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₆ClN
Molar mass: 127.57 g/mol
Exact mass: 127.0189 Da
Boiling point: 178 °C
logP: 2.04Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

72093-04-0

SMILES

Cc1ccncc1Cl

InChIKey

VLNXNJMHLZFECV-UHFFFAOYSA-N

InChI

InChI=1S/C6H6ClN/c1-5-2-3-8-4-6(5)7/h2-4H,1H3

Weigh it out

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

Names and synonyms

3 names

Pyridine, 3-chloro-4-methyl-
4-Picoline, 3-chloro-
3-Chloro-4-picoline

Work with 3-Chloro-4-methylpyridine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Dimethylpyridine583-58-458 % similar 3-Hydroxy-4-methylpyridine1121-19-350 % similar 3-Bromo-4-methylpyridine3430-22-650 % similar 3-Amino-4-methylpyridine3430-27-150 % similar 3-Ethyl-4-methylpyridine529-21-547 % similar (3-Chloropyridin-4-yl)boronic acid458532-98-445 % similar 4-Methyl-3-pyridinecarbonitrile5444-01-945 % similar 3-Chloro-4-(trifluoromethyl)pyridine81565-19-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Chloroaniline106-47-8 3-Chloroaniline108-42-9 2-Chloro-6-methylpyridine18368-63-3 2-Chloro-5-methylpyridine18368-64-4 2-Chloro-3-methylpyridine18368-76-8 2-Chloro-4-methylpyridine3678-62-4 4-Chloro-2-methylpyridine3678-63-5 2-Chloromethylpyridine4377-33-7

Elsewhere

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