chempirical

4-Chloro-2-methoxypyridine-3-carbonitrile

C7H5ClN2OCAS 1008451-56-6168.58 g/mol

Open in Covalent MOL file
ONNCl
Aryl halideEtherNitrile

Properties

Molecular formula
C7H5ClN2O
Molar mass
168.58 g/mol
Exact mass
168.0090 Da
logP
1.62Crippen estimate
Polar surface area
45.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
1008451-56-6
SMILES
COC1=NC=CC(=C1C#N)Cl
InChIKey
HIDUGVUFJNHNBR-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClN2O/c1-11-7-5(4-9)6(8)2-3-10-7/h2-3H,1H3

Weigh it out

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

Work with 4-Chloro-2-methoxypyridine-3-carbonitrile

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-Methoxy-3-pyridinecarbonitrile7254-34-450 % similar 2,6-Dichlorobenzonitrile1194-65-645 % similar 2-Chloro-4-methyl-3-pyridinecarbonitrile65169-38-243 % similar 2-Chloro-6-methylbenzonitrile6575-09-342 % similar 2-Amino-6-chlorobenzonitrile6575-11-742 % similar 3-Chloro-4-methoxybenzonitrile102151-33-741 % similar B-(3-Chloro-2-methoxy-4-pyridinyl)boronic acid957060-88-740 % similar 2-Chloro-4-iodonicotinonitrile1171919-75-739 % similar

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

Same formula

5-Chloro-1,3-dihydro-2H-pyrrolo[3,2-B] pyridin-2-one136888-08-9 Zoxazolamine61-80-3 2-Chloro-4-methoxy-3-pyridinecarbonitrile98645-43-3

Elsewhere

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