4-[6-(4-carboxyphenyl)-4-pyridin-4-yl-2-pyridinyl]benzoic acid

C24H16N2O4 — CID 91036592

IUPAC4-[6-(4-carboxyphenyl)-4-pyridin-4-yl-2-pyridinyl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(-c3ccncc3)cc(-c3ccc(C(=O)O)cc3)n2)cc1
InChIInChI=1S/C24H16N2O4/c27-23(28)18-5-1-16(2-6-18)21-13-20(15-9-11-25-12-10-15)14-22(26-21)17-3-7-19(8-4-17)24(29)30/h1-14H,(H,27,28)(H,29,30)
InChIKeyVFLSZZOUUGUMJV-UHFFFAOYSA-N
MW396.40 g/mol
LogP4.87
Rot. Bonds5

About 4-[6-(4-carboxyphenyl)-4-pyridin-4-yl-2-pyridinyl]benzoic acid

4-[6-(4-carboxyphenyl)-4-pyridin-4-yl-2-pyridinyl]benzoic acid (PubChem CID 91036592) has the molecular formula C24H16N2O4 and a molecular weight of 396.40 g/mol. Its IUPAC name is 4-[6-(4-carboxyphenyl)-4-pyridin-4-yl-2-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[6-(4-carboxyphenyl)-4-pyridin-4-yl-2-pyridinyl]benzoic acid
PubChem CID91036592
Molecular FormulaC24H16N2O4
Molecular Weight396.40 g/mol
Exact Mass396.11
IUPAC Name4-[6-(4-carboxyphenyl)-4-pyridin-4-yl-2-pyridinyl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(-c3ccncc3)cc(-c3ccc(C(=O)O)cc3)n2)cc1
InChIInChI=1S/C24H16N2O4/c27-23(28)18-5-1-16(2-6-18)21-13-20(15-9-11-25-12-10-15)14-22(26-21)17-3-7-19(8-4-17)24(29)30/h1-14H,(H,27,28)(H,29,30)
InChIKeyVFLSZZOUUGUMJV-UHFFFAOYSA-N
XLogP4.87
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Quinolinecarboxylic acid
CID 10243
Isoquinoline-3-carboxylic acid
CID 124656
2,6-Diphenylisonicotinic acid
CID 3490694
4-(8-(3-Nitrophenyl)-(1,7)naphthyridin-6-yl)benzoic acid
CID 9999276
2-(Pyridin-3-yl)benzoic acid
CID 2760505
3-(Pyridin-3-yl)benzoic acid
CID 2795575
(2,2'-Bipyridine)-5,5'-dicarboxylic acid
CID 192744
2,2'-Bipyridine-3,3'-dicarboxylic Acid
CID 681885
2-([1,1'-Biphenyl]-4-yl)quinoline-4-carboxylic Acid
CID 2063288
5-(4-Chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25253151
Cinchoninic acid, 2-(3-pyridyl)-
CID 24067
2-(Pyridin-2-yl)quinoline-4-carboxylic acid
CID 24103

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-carboxyphenyl)-4-pyridin-4-yl-2-pyridinyl]benzoic acid?
The IUPAC name of 4-[6-(4-carboxyphenyl)-4-pyridin-4-yl-2-pyridinyl]benzoic acid (CID 91036592) is 4-[6-(4-carboxyphenyl)-4-pyridin-4-yl-2-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[6-(4-carboxyphenyl)-4-pyridin-4-yl-2-pyridinyl]benzoic acid?
The canonical SMILES for 4-[6-(4-carboxyphenyl)-4-pyridin-4-yl-2-pyridinyl]benzoic acid is O=C(O)c1ccc(-c2cc(-c3ccncc3)cc(-c3ccc(C(=O)O)cc3)n2)cc1.
What is the InChIKey of 4-[6-(4-carboxyphenyl)-4-pyridin-4-yl-2-pyridinyl]benzoic acid?
The InChIKey is VFLSZZOUUGUMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O4/c27-23(28)18-5-1-16(2-6-18)21-13-20(15-9-11-25-12-10-15)14-22(26-21)17-3-7-19(8-4-17)24(29)30/h1-14H,(H,27,28)(H,29,30).
What are the key properties of 4-[6-(4-carboxyphenyl)-4-pyridin-4-yl-2-pyridinyl]benzoic acid?
4-[6-(4-carboxyphenyl)-4-pyridin-4-yl-2-pyridinyl]benzoic acid has a molecular weight of 396.40 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-carboxyphenyl)-4-pyridin-4-yl-2-pyridinyl]benzoic acid is sourced from PubChem (CID 91036592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).