2,2'-Bipyridine-3,3'-dicarboxylic acid

C12H8N2O4CAS 4433-01-6244.21 g/mol

Open in Covalent MOL file
NNOOHOOH
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

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4433-01-6
SMILES
C1=CC(=C(N=C1)C2=C(C=CC=N2)C(=O)O)C(=O)O
InChIKey
KNVZVRWMLMPTTJ-UHFFFAOYSA-N
InChI
InChI=1S/C12H8N2O4/c15-11(16)7-3-1-5-13-9(7)10-8(12(17)18)4-2-6-14-10/h1-6H,(H,15,16)(H,17,18)

Weigh it out

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

Work with 2,2'-Bipyridine-3,3'-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-Phenyl-3-pyridinecarboxylic acid33421-39-576 % similar Quinolinic acid339155-13-471 % similar Quinolinic acid89-00-971 % similar 2-Hydroxynicotinic acid609-71-269 % similar 2-Chloronicotinic acid2942-59-867 % similar 2-Methylnicotinic acid3222-56-867 % similar 2-Bromonicotinic acid35905-85-267 % similar 2-Mercaptonicotinic acid38521-46-967 % 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-6,6'-dicarboxylic acid4479-74-7 2,2'-Bipyridine-4,4'-dicarboxylic acid6813-38-3

Elsewhere

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