chempirical

3-Chloro-2-methylpyridine

C6H6ClNCAS 72093-03-9127.57 g/mol

Open in Covalent MOL file
NCl
Aryl halide

Properties

Molecular formula
C6H6ClN
Molar mass
127.57 g/mol
Exact mass
127.0189 Da
logP
2.04Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
72093-03-9
SMILES
CC1=C(C=CC=N1)Cl
InChIKey
YSEYOMUPVMGJPP-UHFFFAOYSA-N
InChI
InChI=1S/C6H6ClN/c1-5-6(7)3-2-4-8-5/h2-4H,1H3

Weigh it out

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

Work with 3-Chloro-2-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Chloro-2-methoxypyridine13472-84-955 % similar 2,3-Dichloropyridine2402-77-954 % similar 2,3-Lutidine583-61-954 % similar 3-Bromo-2-methylpyridine38749-79-052 % similar 2-Methylpyridin-3-ol1121-25-150 % similar 3-Chloro-2-fluoro-pyridine1480-64-450 % similar 3-Fluoro-2-methylpyridine15931-15-450 % similar 3-Amino-2-methylpyridine3430-10-250 % similar

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

Same formula

4-Chloroaniline106-47-8 3-Chloroaniline108-42-9 4-Chloro-3-methylpyridine1681-36-3 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

Elsewhere

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