chempirical

2,2'-Bipyridine-4,4'-dicarboxylic acid

C12H8N2O4CAS 6813-38-3244.21 g/mol

Open in Covalent MOL file
NOOHNOOH
Carboxylic acid

Properties

Molecular formula
C12H8N2O4
Molar mass
244.21 g/mol
Exact mass
244.0484 Da
logP
1.54Crippen estimate
Polar surface area
100.4 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

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
6813-38-3
SMILES
C1=CN=C(C=C1C(=O)O)C2=NC=CC(=C2)C(=O)O
InChIKey
FXPLCAKVOYHAJA-UHFFFAOYSA-N
InChI
InChI=1S/C12H8N2O4/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10/h1-6H,(H,15,16)(H,17,18)

Weigh it out

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Work with 2,2'-Bipyridine-4,4'-dicarboxylic 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':6',2''-Terpyridine-4,4',4''-tricarboxylic acid216018-58-586 % similar [2,2′-Bipyridine]-4-carboxylic acid1748-89-680 % similar 4′-Methyl[2,2′-bipyridine]-4-carboxylic acid103946-54-977 % similar Lutidinic acid499-80-969 % similar 2-Fluoroisonicotinic acid402-65-367 % similar 2-Aminopyridine-4-carboxylic acid13362-28-265 % similar 2-Methylpyridine-4-carboxylic acid4021-11-865 % similar 2-Iodo-isonicotinic acid58481-10-065 % similar

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

Same formula

4,4′-Dinitro-1,1′-biphenyl1528-74-1 [2,2′-Bipyridine]-5,5′-dicarboxylic acid1802-30-8 2,2′-Dinitrobiphenyl2436-96-6 2,2'-Bipyridine-3,3'-dicarboxylic acid4433-01-6 2,2'-Bipyridine-6,6'-dicarboxylic acid4479-74-7

Elsewhere

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