Synonyms
6,6'-Binicotinic acid
IUPAC Name
6-(5-carboxypyridin-2-yl)pyridine-3-carboxylic acid
Molecular Weight
244.20
Molecular Formula
C12H8N2O4
Canonical SMILES
C1=CC(=NC=C1C(=O)O)C2=NC=C(C=C2)C(=O)O
InChI
KVQMUHHSWICEIH-UHFFFAOYSA-N
InChI Key
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)
Boiling Point
521.0±50.0 °C(Predicted)
Melting Point
>360 °C-lit.
Purity
98%
Appearance
Off-white solid
Storage
Store under inert gas
Complexity
302
Covalently-Bonded Unit Count
1
Exact Mass
244.04840674
H-Bond Acceptor
6
H-Bond Donor
2
Heavy Atom Count
18
MDL Number
MFCD01318320
Monoisotopic Mass
244.04840674
Refractive Index
1.62
Rotatable Bond Count
3
Topological Polar Surface Area
100 Ų
