2-Chloro-4-methoxy-3-pyridinecarbonitrile

C₇H₅ClN₂OCAS 98645-43-3168.58 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitrile

Properties

Molecular formula: C₇H₅ClN₂O
Molar mass: 168.58 g/mol
Exact mass: 168.0090 Da
Melting point: 175–176 °C
logP: 1.62Crippen estimate
Polar surface area: 45.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

98645-43-3

SMILES

COc1ccnc(Cl)c1C#N

InChIKey

MOKUXMQJIYHZCA-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClN2O/c1-11-6-2-3-10-7(8)5(6)4-9/h2-3H,1H3

Weigh it out

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

Names and synonyms

3 names

3-Pyridinecarbonitrile, 2-chloro-4-methoxy-
2-Chloro-3-cyano-4-methoxypyridine
2-Chloro-4-methoxynicotinonitrile

Work with 2-Chloro-4-methoxy-3-pyridinecarbonitrile

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-4-methyl-3-pyridinecarbonitrile65169-38-258 % similar 2-Chloro-4-iodonicotinonitrile1171919-75-754 % similar 2-Chloro-3-methoxypyridine52605-96-650 % similar 2-Fluoro-6-methoxybenzonitrile94088-46-749 % similar 2,4,6-Trimethoxybenzonitrile2571-54-243 % similar 3-Chloro-4-methoxybenzonitrile102151-33-741 % similar 5-Chloro-2-methoxybenzonitrile55877-79-741 % similar 2-Methoxybenzonitrile6609-56-941 % similar

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

Same formula

4-Chloro-2-methoxypyridine-3-carbonitrile1008451-56-6 5-Chloro-1,3-dihydro-2H-pyrrolo[3,2-B] pyridin-2-one136888-08-9 Zoxazolamine61-80-3

Elsewhere

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