chempirical

6-Chloro-3-pyridineacetonitrile

C7H5ClN2CAS 39891-09-3152.58 g/mol

Open in Covalent MOL file
NClN
Aryl halideNitrile

Properties

Molecular formula
C7H5ClN2
Molar mass
152.58 g/mol
Exact mass
152.0141 Da
Melting point
48–50 °C
Boiling point
182 °C (at 1 Torr)
logP
1.80Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
39891-09-3
SMILES
N#CCc1ccc(Cl)nc1
InChIKey
BLGUCBUETMYJTB-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClN2/c8-7-2-1-6(3-4-9)5-10-7/h1-2,5H,3H2

Weigh it out

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Names and synonyms

6 names
  • 3-Pyridineacetonitrile, 6-chloro-
  • 6-Chloro-3-pyridylacetonitrile
  • (6-Chloro-3-pyridinyl)acetonitrile
  • 2-(6-Chloro-3-pyridinyl)acetonitrile
  • 2-Chloro-5-pyridineacetonitrile
  • 2-Chloro-5-(cyanomethyl)pyridine

Work with 6-Chloro-3-pyridineacetonitrile

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-Chloro-5-(chloromethyl)pyridine70258-18-355 % similar 6-Chloro-3-pyridinemethanamine97004-04-153 % similar 1,4-Benzenediacetonitrile622-75-352 % similar (4-Chlorophenyl)acetonitrile140-53-452 % similar 6-Chloronicotinonitrile33252-28-748 % similar 3,4-Dichlorobenzeneacetonitrile3218-49-347 % similar 3-Pyridineacetonitrile6443-85-247 % similar Acetamiprid135410-20-747 % 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 6-Chloromethyl-2-cyanopyridine135450-23-6 4-Amino-2-chlorobenzonitrile20925-27-3 3-Chloroindazole29110-74-5 7-Chloro-1H-pyrrolo[2,3-C]pyridine357263-41-3

Elsewhere

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