2-(2-pyridin-2-yl-4-pyridinyl)benzene-1,3-dicarboxylic acid

C18H12N2O4 — CID 90991096

IUPAC2-(2-pyridin-2-yl-4-pyridinyl)benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cccc(C(=O)O)c1-c1ccnc(-c2ccccn2)c1
InChIInChI=1S/C18H12N2O4/c21-17(22)12-4-3-5-13(18(23)24)16(12)11-7-9-20-15(10-11)14-6-1-2-8-19-14/h1-10H,(H,21,22)(H,23,24)
InChIKeyOQQJHCUKMFKKEC-UHFFFAOYSA-N
MW320.30 g/mol
LogP3.21
Rot. Bonds4

About 2-(2-pyridin-2-yl-4-pyridinyl)benzene-1,3-dicarboxylic acid

2-(2-pyridin-2-yl-4-pyridinyl)benzene-1,3-dicarboxylic acid (PubChem CID 90991096) has the molecular formula C18H12N2O4 and a molecular weight of 320.30 g/mol. Its IUPAC name is 2-(2-pyridin-2-yl-4-pyridinyl)benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2-(2-pyridin-2-yl-4-pyridinyl)benzene-1,3-dicarboxylic acid
PubChem CID90991096
Molecular FormulaC18H12N2O4
Molecular Weight320.30 g/mol
Exact Mass320.08
IUPAC Name2-(2-pyridin-2-yl-4-pyridinyl)benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cccc(C(=O)O)c1-c1ccnc(-c2ccccn2)c1
InChIInChI=1S/C18H12N2O4/c21-17(22)12-4-3-5-13(18(23)24)16(12)11-7-9-20-15(10-11)14-6-1-2-8-19-14/h1-10H,(H,21,22)(H,23,24)
InChIKeyOQQJHCUKMFKKEC-UHFFFAOYSA-N
XLogP3.21
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-pyridin-2-yl-4-pyridinyl)benzene-1,3-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pyridin-2-yl-4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyridine
CID 10389614
2-pyridin-2-yl-3-pyridin-3-ylbenzoic acid
CID 68921390
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)-2-pyridinyl]pyridine
CID 130326866
2-fluoro-5-pyridin-2-ylbenzoic acid
CID 63679251
2-[4-(4-carboxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-4-carboxylic acid
CID 102183000
2-formyl-4-pyridin-2-ylbenzoic acid
CID 143027817
2-(2-pyridin-2-yl-3-pyridinyl)benzoic acid
CID 141463782
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
(E)-but-2-enedioic acid;2-pyridin-2-ylpyridine
CID 139063802

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-yl-4-pyridinyl)benzene-1,3-dicarboxylic acid?
The IUPAC name of 2-(2-pyridin-2-yl-4-pyridinyl)benzene-1,3-dicarboxylic acid (CID 90991096) is 2-(2-pyridin-2-yl-4-pyridinyl)benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 2-(2-pyridin-2-yl-4-pyridinyl)benzene-1,3-dicarboxylic acid?
The canonical SMILES for 2-(2-pyridin-2-yl-4-pyridinyl)benzene-1,3-dicarboxylic acid is O=C(O)c1cccc(C(=O)O)c1-c1ccnc(-c2ccccn2)c1.
What is the InChIKey of 2-(2-pyridin-2-yl-4-pyridinyl)benzene-1,3-dicarboxylic acid?
The InChIKey is OQQJHCUKMFKKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O4/c21-17(22)12-4-3-5-13(18(23)24)16(12)11-7-9-20-15(10-11)14-6-1-2-8-19-14/h1-10H,(H,21,22)(H,23,24).
What are the key properties of 2-(2-pyridin-2-yl-4-pyridinyl)benzene-1,3-dicarboxylic acid?
2-(2-pyridin-2-yl-4-pyridinyl)benzene-1,3-dicarboxylic acid has a molecular weight of 320.30 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-yl-4-pyridinyl)benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 90991096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).