chempirical

Methyl 6-cyanopyridine-3-carboxylate

C8H6N2O2CAS 89809-65-4162.15 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
89809-65-4
SMILES
COC(=O)C1=CN=C(C=C1)C#N
InChIKey
FZVAWHJPGGLCPC-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O2/c1-12-8(11)6-2-3-7(4-9)10-5-6/h2-3,5H,1H3

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Work with Methyl 6-cyanopyridine-3-carboxylate

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

Methyl 4-cyanobenzoate1129-35-759 % similar Dimethyl pyridine-2,5-dicarboxylate881-86-759 % similar Methyl 6-methylnicotinate5470-70-258 % similar 6-Fluoronicotinic acid methyl ester1427-06-156 % similar Methyl 6-bromopyridine-3-carboxylate26218-78-056 % similar Methyl 6-methoxynicotinate26218-80-456 % similar Methyl 6-aminonicotinate36052-24-156 % similar 6-Cyanonicotinic acid70165-31-056 % 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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