4-Methyl-[2,3'-bipyridine]-5'-carboxylic acid

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Basic information

CAS: 1346686-65-4
Standard SMILES: Cc1ccnc(-c2cncc(C(=O)O)c2)c1
InChIKey: KMBQINANGSAPFM-UHFFFAOYSA-N
Molecular formula: C12H10N2O2
Average molar mass: 214.22 g/mol
Monoisotopic mass: 214.07422757

Names & identifiers

Preferred name: 4-Methyl-[2,3'-bipyridine]-5'-carboxylic acid
IUPAC: 5-(4-methyl-2-pyridinyl)pyridine-3-carboxylic acid

Names & synonyms

4-Methyl-[2,3'-bipyridine]-5'-carboxylic acid1346686-65-44-Methyl-[2,3'-bipyridine]-5'-carboxylicacid5-(4-methylpyridin-2-yl)pyridine-3-carboxylic acidSCHEMBL15344116DTXSID007450004-Methyl[2,3'-bipyridine]-5'-carboxylic acid

Database identifiers

CAS: 1346686-65-4
PubChem CID: 71303530
DTXSID: DTXSID00745000

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 63.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 257

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