4,4'-[2,2'-Bipyridine]-5,5'-diylbis[benzoic acid] - CAS 1373759-05-7

Catalog:	BB073322
Product Name:	4,4'-[2,2'-Bipyridine]-5,5'-diylbis[benzoic acid]
CAS:	1373759-05-7
Synonyms:	4,4'-([2,2'-Bipyridine]-5,5'-diyl)dibenzoic acid; 4-[6-[5-(4-carboxyphenyl)pyridin-2-yl]pyridin-3-yl]benzoic acid; 4,4'-(2,2'-Bipyridine-5,5'-diyl)bisbenzoic acid; 4,4'-([2,2'-Bipyridine]-5,5'-diyl)dibenzoicacid

Technical Data

IUPAC Name:	4-[6-[5-(4-carboxyphenyl)pyridin-2-yl]pyridin-3-yl]benzoic acid
Molecular Weight:	396.39
Molecular Formula:	C24H16N2O4
Canonical SMILES:	C1=CC(=CC=C1C2=CN=C(C=C2)C3=NC=C(C=C3)C4=CC=C(C=C4)C(=O)O)C(=O)O
InChI:	InChI=1S/C24H16N2O4/c27-23(28)17-5-1-15(2-6-17)19-9-11-21(25-13-19)22-12-10-20(14-26-22)16-3-7-18(8-4-16)24(29)30/h1-14H,(H,27,28)(H,29,30)
InChI Key:	FCXNVSNHZZTWCB-UHFFFAOYSA-N

Complexity:	544
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	396.111007
Formal Charge:	0
Heavy Atom Count:	30
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	396.111007
Rotatable Bond Count:	5
Topological Polar Surface Area:	100Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8