2,2'-Bipyridine-6,6'-dicarboxylic acid

C12H8N2O4CAS 4479-74-7244.21 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

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
4479-74-7
SMILES
C1=CC(=NC(=C1)C(=O)O)C2=NC(=CC=C2)C(=O)O
InChIKey
DASAXWLMIWDYLQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H8N2O4/c15-11(16)9-5-1-3-7(13-9)8-4-2-6-10(14-8)12(17)18/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-6,6'-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

Dipicolinic acid499-83-279 % similar 6-Phenylpyridine-2-carboxylic acid39774-28-276 % similar 6-Hydroxypicolinic acid19621-92-266 % similar 6-Fluoropyridine-2-carboxylic acid402-69-766 % similar 6-Chloropicolinic acid4684-94-066 % similar 6-Bromopyridine-2-carboxylic acid21190-87-463 % similar 6-Aminopyridine-2-carboxylic acid23628-31-163 % similar 6-Methylpyridine-2-carboxylic acid934-60-163 % 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-4,4'-dicarboxylic acid6813-38-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook