Methyl 6,6'-dimethyl-[2,2'-bipyridine]-4-carboxylate

C₁₄H₁₄N₂O₂CAS 562086-30-0242.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₄N₂O₂
Molar mass: 242.28 g/mol
Exact mass: 242.1055 Da
logP: 2.55Crippen estimate
Polar surface area: 52.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

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

562086-30-0

SMILES

CC1=NC(=CC=C1)C2=NC(=CC(=C2)C(=O)OC)C

InChIKey

ZCWQDYBOFKSIGM-UHFFFAOYSA-N

InChI

InChI=1S/C14H14N2O2/c1-9-5-4-6-12(15-9)13-8-11(14(17)18-3)7-10(2)16-13/h4-8H,1-3H3

Weigh it out

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

Names and synonyms

1 names

4-Methoxycarbonyl-6,6'-dimethyl-2,2'-bipyridine

Work with Methyl 6,6'-dimethyl-[2,2'-bipyridine]-4-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 2-Chloro-6-methylisonicotinate3998-90-161 % similar 6-Methylpyridine-2-carboxylic acid methyl ester13602-11-457 % similar Methyl 2-bromo-6-methyl-4-pyridinecarboxylate884494-71-757 % similar Trimethyl 2,2':6',2''-terpyridine-4,4',4''-tricarboxylate330680-46-153 % similar Dimethyl 2,2'-bipyridine-6,6'-dicarboxylate142593-07-553 % similar Methyl m-toluate99-36-551 % similar Dimethyl isophthalate1459-93-450 % similar Methyl 2,6-dichloroisonicotinate42521-09-549 % similar

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

Same formula

3-Amino-4-methoxy-N-phenylbenzamide120-35-4 4-Benzyloxybenzhydrazide128958-65-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook