4-[2-(3-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]benzoic acid

C22H15N3O2 — CID 91495805

IUPAC4-[2-(3-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccnc(-c3ncccc3-c3ccccn3)c2)cc1
InChIInChI=1S/C22H15N3O2/c26-22(27)16-8-6-15(7-9-16)17-10-13-24-20(14-17)21-18(4-3-12-25-21)19-5-1-2-11-23-19/h1-14H,(H,26,27)
InChIKeyXJCUGLABNRNWFQ-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.57
Rot. Bonds4

About 4-[2-(3-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]benzoic acid

4-[2-(3-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]benzoic acid (PubChem CID 91495805) has the molecular formula C22H15N3O2 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-[2-(3-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(3-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]benzoic acid
PubChem CID91495805
Molecular FormulaC22H15N3O2
Molecular Weight353.38 g/mol
Exact Mass353.12
IUPAC Name4-[2-(3-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccnc(-c3ncccc3-c3ccccn3)c2)cc1
InChIInChI=1S/C22H15N3O2/c26-22(27)16-8-6-15(7-9-16)17-10-13-24-20(14-17)21-18(4-3-12-25-21)19-5-1-2-11-23-19/h1-14H,(H,26,27)
InChIKeyXJCUGLABNRNWFQ-UHFFFAOYSA-N
XLogP4.57
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(8-(3-Nitrophenyl)-(1,7)naphthyridin-6-yl)benzoic acid
CID 9999276
2-(Pyridin-4-yl)quinoline-4-carboxylic acid
CID 26587
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
Cinchoninic acid, 2-(3-pyridyl)-
CID 24067
4-Pyridin-3-yl-benzoic acid
CID 1515244
2,2'-Bipyridine-4-Carboxylic Acid
CID 9942424
4'-[(2-Phenylethyl)carbamoyl][2,2'-Bipyridine]-4-Carboxylic Acid
CID 45378188
3-Cyclohexyl-1-methyl-2-(2-pyridyl)indole-6-carboxylic acid
CID 514262
8-Methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 3768281
Cinchoninic acid, 6-methyl-2-(3-pyridyl)-
CID 21187

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]benzoic acid?
The IUPAC name of 4-[2-(3-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]benzoic acid (CID 91495805) is 4-[2-(3-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[2-(3-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]benzoic acid?
The canonical SMILES for 4-[2-(3-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]benzoic acid is O=C(O)c1ccc(-c2ccnc(-c3ncccc3-c3ccccn3)c2)cc1.
What is the InChIKey of 4-[2-(3-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]benzoic acid?
The InChIKey is XJCUGLABNRNWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2/c26-22(27)16-8-6-15(7-9-16)17-10-13-24-20(14-17)21-18(4-3-12-25-21)19-5-1-2-11-23-19/h1-14H,(H,26,27).
What are the key properties of 4-[2-(3-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]benzoic acid?
4-[2-(3-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]benzoic acid has a molecular weight of 353.38 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]benzoic acid is sourced from PubChem (CID 91495805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).