chempirical

2-Cyano-3-pyridinecarboxylic acid methyl ester

C8H6N2O2CAS 75358-89-3162.15 g/mol

Open in Covalent MOL file
OONN
EsterNitrile

Properties

Molecular formula
C8H6N2O2
Molar mass
162.15 g/mol
Exact mass
162.0429 Da
logP
0.74Crippen estimate
Polar surface area
63.0 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

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
75358-89-3
SMILES
COC(=O)C1=C(N=CC=C1)C#N
InChIKey
ANPYBZGPGODWJD-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O2/c1-12-8(11)6-3-2-4-10-7(6)5-9/h2-4H,1H3

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Names and synonyms

1 names
  • Methyl 2-cyanonicotinate

Work with 2-Cyano-3-pyridinecarboxylic acid methyl ester

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

2,3-Dimethyl 2,3-pyridinedicarboxylate605-38-961 % similar Methyl o-cyanobenzoate6587-24-261 % similar Methyl 2-methylnicotinate65719-09-759 % similar Methyl 2-aminopyridine-3-carboxylate14667-47-157 % similar Methyl 2-chloronicotinate40134-18-757 % similar 2-Fluoronicotinic acid methyl ester446-26-457 % similar Methyl 2-bromopyridine-3-carboxylate52718-95-357 % similar Dimethyl phthalate131-11-356 % similar

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

Same formula

Pyrazolo[1,5-A]pyridine-5-carboxylic acid104468-87-3 3-(5-Azaindole)carboxylic acid119248-43-0 N-Phenylsydnone120-06-9 Imidazo[1,2-A]pyridine-8-carboxylic acid133427-08-4 1H-Pyrrolo[2,3-B]pyridine-2-carboxylic acid136818-50-3 Imidazo(1,2-a)pyridine-6-carboxylic acid139022-25-6 2,3-Dihydro-1,4-phthalazinedione1445-69-8 1H-Pyrrolo(2,3-b)pyridine-3-carboxylic acid156270-06-3

Elsewhere

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