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6-(4-carboxypyridin-2-yl)-[2,2'-bipyridine]-4,4'-dicarboxylic acid

6-(4-carboxypyridin-2-yl)-[2,2'-bipyridine]-4,4'-dicarboxylic acid

CAS: 216018-58-5

Formula: C18H11N3O6

SMILES: OC(=O)C1=CC(=NC=C1)C1=CC(=CC(=N1)C1=NC=CC(=C1)C(O)=O)C(O)=O

IUPAC: 6-(4-carboxypyridin-2-yl)-[2,2'-bipyridine]-4,4'-dicarboxylic acid

InChI: InChI=1S/C18H11N3O6/c22-16(23)9-1-3-19-12(5-9)14-7-11(18(26)27)8-15(21-14)13-6-10(17(24)25)2-4-20-13/h1-8H,(H,22,23)(H,24,25)(H,26,27)

Composition: C (59.18%), H (3.04%), N (11.50%), O (26.28%)

Molar Mass: 365.301

Atom Count: 38

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 365.064785086
Formal Charge 0
FSP3 0
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 9
Hydrogen Bond Donor Count 3
InChIKey NTXWAWVRPLVLKC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.14
Topological Polar Surface Area 150.57
Polarizability 36.56
Ring Count 3
Rotatable Bond Count 5

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