CAS 1802-30-8|6-(5-carboxypyridin-2-yl)pyridine-3-carboxylic acid|[2,2'-Bipyridine]-5,5'-dicarboxylic acid|6-(5-carboxypyridin-2-yl)pyridine-3-carboxylic acid|2,2′-Bipyridine-5,5′-dicarboxylic aci...

General Information

Structure

Molecular Formula

C₁₂H₈N₂O₄

Molecular Mass

244.20292

Exact Mass

244.04840675

Charge

InChI

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)

InChIKey

KVQMUHHSWICEIH-UHFFFAOYSA-N

Canonic Smiles

OC(=O)c1ccc(nc1)c1ccc(cn1)C(=O)O

Isomeric Smiles

c1(ccc(cn1)C(=O)O)c1ccc(cn1)C(=O)O

Calculated Properties

JChem

Acid pKa

3.4254107

H Acceptors

H Donor

LogD (pH = 5.5)

-2.2874742

LogD (pH = 7.4)

-5.3221216

Log P

1.2719928

Molar Refractivity

60.6488

Polarizability

24.174892

Polar Surface Area

100.38

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

[2,2'-Bipyridine]-5,5'-dicarboxylic acid2,2′-Bipyridine-5,5′-dicarboxylic acid2,2′-联吡啶-5,5′-二羧酸2,2'-Bipyridyl-5,5'-dicarboxylic Acid2,2'-Bipyridine-5,5'-dicarboxylic acid5,5'-Dicarboxy-2,2'-bipyridine6,6'-Binicotinic Acid [2,2'-Bipyridine]-5,5'-dicarboxylic Acid

IUPAC Traditional name

6-(5-carboxypyridin-2-yl)pyridine-3-carboxylic acid

IUPAC name

6-(5-carboxypyridin-2-yl)pyridine-3-carboxylic acid

Names and Identifiers

Registration numbers

CAS Number

1802-30-8

MDL Number

MFCD01318320

PubChem SID

24873972162034171