chempirical

Dimethyl 2,2'-bipyridine-6,6'-dicarboxylate

C14H12N2O4CAS 142593-07-5272.26 g/mol

Open in Covalent MOL file
OONNOO
Ester

Properties

Molecular formula
C14H12N2O4
Molar mass
272.26 g/mol
Exact mass
272.0797 Da
logP
1.72Crippen estimate
Polar surface area
78.4 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
3

Identifiers

CAS number
142593-07-5
SMILES
COC(=O)C1=CC=CC(=N1)C2=NC(=CC=C2)C(=O)OC
InChIKey
YFKCGCGCKIYMIH-UHFFFAOYSA-N
InChI
InChI=1S/C14H12N2O4/c1-19-13(17)11-7-3-5-9(15-11)10-6-4-8-12(16-10)14(18)20-2/h3-8H,1-2H3

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Work with Dimethyl 2,2'-bipyridine-6,6'-dicarboxylate

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

Dimethyl 2,6-pyridinedicarboxylate5453-67-881 % similar 6-Methylpyridine-2-carboxylic acid methyl ester13602-11-469 % similar Methyl 6-bromo-2-pyridinecarboxylate26218-75-767 % similar 6-Fluoropyridine-2-carboxylic acid methyl ester455-71-067 % similar Methyl 6-(hydroxymethyl)picolinate39977-44-161 % similar Methyl picolinate2459-07-658 % similar Methyl 2-chloropyrimidine-4-carboxylate149849-94-557 % similar Methyl5-fluoro-6-methylpicolinate1245647-61-350 % similar

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

Same formula

2,2′-Dinitrodibenzyl16968-19-7 1,2-Bis(4-nitrophenyl)ethane736-30-1

Elsewhere

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