4-Chloro-nicotinonitrile

C₆H₃ClN₂CAS 89284-61-7138.55 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₆H₃ClN₂
Molar mass: 138.55 g/mol
Exact mass: 137.9985 Da
logP: 1.61Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
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

89284-61-7

SMILES

C1=CN=CC(=C1Cl)C#N

InChIKey

QBKPXDUZFDINDV-UHFFFAOYSA-N

InChI

InChI=1S/C6H3ClN2/c7-6-1-2-9-4-5(6)3-8/h1-2,4H

Weigh it out

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

Names and synonyms

1 names

4-Chloro-3-cyanopyridine

Work with 4-Chloro-nicotinonitrile

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

4-Bromo-3-pyridinecarbonitrile154237-70-455 % similar 4-Methyl-3-pyridinecarbonitrile5444-01-955 % similar 2-Chlorobenzonitrile873-32-554 % similar 3,4-Dichloropyridine55934-00-452 % similar 3-Fluoro-4-pyridinecarbonitrile113770-88-050 % similar 4-(Trifluoromethyl)-3-pyridinecarbonitrile13600-43-650 % similar 3-Bromo-4-cyanopyridine13958-98-050 % similar 3-Amino-4-cyanopyridine78790-79-150 % similar

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

Same formula

4-Chloro-2-cyanopyridine19235-89-3 6-Chloronicotinonitrile33252-28-7 6-Chloro-2-pyridinecarbonitrile33252-29-8 2-Chloro-4-cyanopyridine33252-30-1 3-Chloropyridine-2-carbonitrile38180-46-0 2-Chloro-3-cyanopyridine6602-54-6 3-Chloro-4-cyanopyridine68325-15-5 5-Chloro-2-pyridinecarbonitrile89809-64-3

Elsewhere

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