3,5-dipyridin-4-ylbenzoic acid

C17H12N2O2 — CID 46316420

IUPAC3,5-dipyridin-4-ylbenzoic acid
SMILESO=C(O)c1cc(-c2ccncc2)cc(-c2ccncc2)c1
InChIInChI=1S/C17H12N2O2/c20-17(21)16-10-14(12-1-5-18-6-2-12)9-15(11-16)13-3-7-19-8-4-13/h1-11H,(H,20,21)
InChIKeyNNTKTJCJOPINGZ-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.51
Rot. Bonds3

About 3,5-dipyridin-4-ylbenzoic acid

3,5-dipyridin-4-ylbenzoic acid (PubChem CID 46316420) has the molecular formula C17H12N2O2 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3,5-dipyridin-4-ylbenzoic acid.

Molecular Properties

Compound Name3,5-dipyridin-4-ylbenzoic acid
PubChem CID46316420
Molecular FormulaC17H12N2O2
Molecular Weight276.29 g/mol
Exact Mass276.09
IUPAC Name3,5-dipyridin-4-ylbenzoic acid
SMILESO=C(O)c1cc(-c2ccncc2)cc(-c2ccncc2)c1
InChIInChI=1S/C17H12N2O2/c20-17(21)16-10-14(12-1-5-18-6-2-12)9-15(11-16)13-3-7-19-8-4-13/h1-11H,(H,20,21)
InChIKeyNNTKTJCJOPINGZ-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 ≤ 500276.29
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dipyridin-4-ylbenzoic acid?
The IUPAC name of 3,5-dipyridin-4-ylbenzoic acid (CID 46316420) is 3,5-dipyridin-4-ylbenzoic acid.
What is the SMILES notation for 3,5-dipyridin-4-ylbenzoic acid?
The canonical SMILES for 3,5-dipyridin-4-ylbenzoic acid is O=C(O)c1cc(-c2ccncc2)cc(-c2ccncc2)c1.
What is the InChIKey of 3,5-dipyridin-4-ylbenzoic acid?
The InChIKey is NNTKTJCJOPINGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-17(21)16-10-14(12-1-5-18-6-2-12)9-15(11-16)13-3-7-19-8-4-13/h1-11H,(H,20,21).
What are the key properties of 3,5-dipyridin-4-ylbenzoic acid?
3,5-dipyridin-4-ylbenzoic acid has a molecular weight of 276.29 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 3,5-dipyridin-4-ylbenzoic acid is sourced from PubChem (CID 46316420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).