chempirical

[2,2′-Bipyridine]-5,5′-dicarboxylic acid

C12H8N2O4CAS 1802-30-8244.21 g/mol

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Carboxylic acid

Properties

Molecular formula
C12H8N2O4
Molar mass
244.21 g/mol
Exact mass
244.0484 Da
Melting point
above 360 °C
logP
1.54Crippen estimate
Polar surface area
100.4 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Identifiers

CAS number
1802-30-8
SMILES
O=C(O)c1ccc(-c2ccc(C(=O)O)cn2)nc1
InChIKey
KVQMUHHSWICEIH-UHFFFAOYSA-N
InChI
InChI=1S/C12H8N2O4/c15-11(16)7-1-3-9(13-5-7)10-4-2-8(6-14-10)12(17)18/h1-6H,(H,15,16)(H,17,18)

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

Names and synonyms

4 names
  • 6,6′-Binicotinic acid
  • 5,5′-Dicarboxy-2,2′-bipyridine
  • 2,2′-Bipyridyl-5,5′-dicarboxylic acid
  • 5,5′-Dicarboxy-2,2′-bipyridyl

Work with [2,2′-Bipyridine]-5,5′-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

2,5-Pyridinedicarboxylic acid100-26-568 % similar 6-Hydroxynicotinic acid5006-66-666 % similar 6,6′-Dithiodinicotinic acid15658-35-263 % similar 6-Chloronicotinic acid5326-23-863 % similar 6-Hydrazinonicotinic acid133081-24-059 % similar Terephthalic acid100-21-058 % similar 6-Trifluoromethylnicotinic acid231291-22-858 % similar 6-Methoxynicotinic acid66572-55-258 % 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'-Dinitrobiphenyl2436-96-6

Elsewhere

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