chempirical

4′-Methyl[2,2′-bipyridine]-4-carboxylic acid

C12H10N2O2CAS 103946-54-9214.22 g/mol

Open in Covalent MOL file
NOOHN
Carboxylic acid

Properties

Molecular formula
C12H10N2O2
Molar mass
214.22 g/mol
Exact mass
214.0742 Da
Melting point
280 °C
logP
2.15Crippen estimate
Polar surface area
63.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
103946-54-9
SMILES
Cc1ccnc(-c2cc(C(=O)O)ccn2)c1
InChIKey
LEJWPWXRHHUDRH-UHFFFAOYSA-N
InChI
InChI=1S/C12H10N2O2/c1-8-2-4-13-10(6-8)11-7-9(12(15)16)3-5-14-11/h2-7H,1H3,(H,15,16)

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Names and synonyms

6 names
  • [2,2′-Bipyridine]-4-carboxylic acid, 4′-methyl-
  • 4-Carboxy-4′-methyl-2,2′-bipyridine
  • 4-Methyl-2,2′-bipyridine-4′-carboxylic acid
  • 4′-Methyl-2,2′-bipyridine-4-carboxylic acid
  • 4′-Methyl-2,2′-bipyridyl-4-carboxylic acid
  • 2-(4-Methylpyridin-2-yl)pyridine-4-carboxylic acid

Work with 4′-Methyl[2,2′-bipyridine]-4-carboxylic acid

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

[2,2′-Bipyridine]-4-carboxylic acid1748-89-665 % similar 4,4′-Dimethyl-2,2′-bipyridine1134-35-658 % similar Lutidinic acid499-80-956 % similar M-Toluic acid99-04-756 % similar 2-Fluoroisonicotinic acid402-65-354 % similar 2-Chloroisonicotinic acid6313-54-853 % similar 2-Methoxy-4-pyridinecarboxylic acid105596-63-253 % similar 2-(Trifluoromethyl)isonicotinic acid131747-41-649 % similar

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

Same formula

4-(4-Nitrobenzyl)pyridine1083-48-3 2-Nitrodiphenylamine119-75-5 2,2′-Dihydroxyazobenzene2050-14-8 4-Nitrodiphenylamine836-30-6

Elsewhere

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