chempirical

6-Chloromethyl-2-cyanopyridine

C7H5ClN2CAS 135450-23-6152.58 g/mol

Open in Covalent MOL file
NNCl
Alkyl halideNitrile

Properties

Molecular formula
C7H5ClN2
Molar mass
152.58 g/mol
Exact mass
152.0141 Da
logP
1.69Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
135450-23-6
SMILES
C1=CC(=NC(=C1)C#N)CCl
InChIKey
NZOOXGNGNZWVQR-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClN2/c8-4-6-2-1-3-7(5-9)10-6/h1-3H,4H2

Weigh it out

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

Work with 6-Chloromethyl-2-cyanopyridine

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-Pyridinedicarbonitrile2893-33-659 % similar 6-Chloro-2-pyridinecarbonitrile33252-29-855 % similar 6-Bromopyridine-2-carbonitrile122918-25-650 % similar 2-(Chloromethyl)-6-methylpyridine hydrochloride3099-30-744 % similar 2-Chloromethylpyridine4377-33-744 % similar 3-(Chloromethyl)benzonitrile64407-07-442 % similar 2-Cyanobenzyl chloride612-13-541 % similar 2-Cyanopyridine100-70-941 % similar

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

Same formula

2-Chloro-3-pyridineacetonitrile101012-32-2 6-Chloro-1H-pyrrolo[3,2-B]pyridine1021339-19-4 4-Chloro (1H)indazole13096-96-3 5-Chloro-1H-pyrrolo[2,3-C]pyridine131084-55-4 4-Amino-2-chlorobenzonitrile20925-27-3 3-Chloroindazole29110-74-5 7-Chloro-1H-pyrrolo[2,3-C]pyridine357263-41-3 7-Chloro-1H-pyrrolo[3,2-B]pyridine357263-48-0

Elsewhere

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