2,2'-Bipyridine-5,5'-dicarboxylic acid

Catalog Number	ACM1802308-3
CAS	1802-30-8
Structure
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
Application	A Nicotinic acid (N429250) derivative for treatment of hypercholesterolemia and hyperlipidemia and cardiovascular disease.
Storage	Store under inert gas
Complexity	302
Covalently-Bonded Unit Count	1
Exact Mass	244.04840674
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
MDL Number	MFCD01318320
Monoisotopic Mass	244.04840674
Rotatable Bond Count	3
Topological Polar Surface Area	100 Ų