3,4-dipyridin-3-ylbenzoic acid

C17H12N2O2 — CID 46316417

IUPAC3,4-dipyridin-3-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2cccnc2)c(-c2cccnc2)c1
InChIInChI=1S/C17H12N2O2/c20-17(21)12-5-6-15(13-3-1-7-18-10-13)16(9-12)14-4-2-8-19-11-14/h1-11H,(H,20,21)
InChIKeyOSXXGNQCGSVBBD-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.51
Rot. Bonds3

About 3,4-dipyridin-3-ylbenzoic acid

3,4-dipyridin-3-ylbenzoic acid (PubChem CID 46316417) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3,4-dipyridin-3-ylbenzoic acid.

Molecular Properties

Compound Name3,4-dipyridin-3-ylbenzoic acid
PubChem CID46316417
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name3,4-dipyridin-3-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2cccnc2)c(-c2cccnc2)c1
InChIInChI=1S/C17H12N2O2/c20-17(21)12-5-6-15(13-3-1-7-18-10-13)16(9-12)14-4-2-8-19-11-14/h1-11H,(H,20,21)
InChIKeyOSXXGNQCGSVBBD-UHFFFAOYSA-N
XLogP3.51
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-pyridin-3-ylbenzoic acid
CID 2795575
4-pyridin-3-ylbenzoic acid;hydrochloride
CID 69483183
4-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)benzoic acid
CID 99942334
8-pyridin-3-ylquinoline-6-carboxylic acid
CID 156718043
2-pyridin-3-yl-1-benzofuran-5-carboxylic acid
CID 66865227
2-pyridin-3-yl-1,3-benzothiazole-6-carboxylic acid
CID 39105580
1-(4-fluoro-3-pyridin-3-ylphenyl)ethanone
CID 82541383
CID 157283677
CID 157283677
nickel;pyridine-3-carboxylic acid
CID 174049937
4-chloro-3-pyrimidin-5-ylbenzoic acid
CID 107989666
5-[(4-pyridin-3-ylbenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 146021058
2-chloro-3-pyridin-3-ylbenzoic acid
CID 46317024

Frequently Asked Questions

What is the IUPAC name of 3,4-dipyridin-3-ylbenzoic acid?
The IUPAC name of 3,4-dipyridin-3-ylbenzoic acid (CID 46316417) is 3,4-dipyridin-3-ylbenzoic acid.
What is the SMILES notation for 3,4-dipyridin-3-ylbenzoic acid?
The canonical SMILES for 3,4-dipyridin-3-ylbenzoic acid is O=C(O)c1ccc(-c2cccnc2)c(-c2cccnc2)c1.
What is the InChIKey of 3,4-dipyridin-3-ylbenzoic acid?
The InChIKey is OSXXGNQCGSVBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-17(21)12-5-6-15(13-3-1-7-18-10-13)16(9-12)14-4-2-8-19-11-14/h1-11H,(H,20,21).
What are the key properties of 3,4-dipyridin-3-ylbenzoic acid?
3,4-dipyridin-3-ylbenzoic acid has a molecular weight of 276.30 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dipyridin-3-ylbenzoic acid is sourced from PubChem (CID 46316417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).