2,6-diphenylpyridine-4-carboxylic acid

C18H13NO2 — CID 3490694

IUPAC2,6-diphenylpyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1
InChIInChI=1S/C18H13NO2/c20-18(21)15-11-16(13-7-3-1-4-8-13)19-17(12-15)14-9-5-2-6-10-14/h1-12H,(H,20,21)
InChIKeyPWKUURSWFJBXGO-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.11
Rot. Bonds3

About 2,6-diphenylpyridine-4-carboxylic acid

2,6-diphenylpyridine-4-carboxylic acid (PubChem CID 3490694) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2,6-diphenylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2,6-diphenylpyridine-4-carboxylic acid
PubChem CID3490694
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name2,6-diphenylpyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1
InChIInChI=1S/C18H13NO2/c20-18(21)15-11-16(13-7-3-1-4-8-13)19-17(12-15)14-9-5-2-6-10-14/h1-12H,(H,20,21)
InChIKeyPWKUURSWFJBXGO-UHFFFAOYSA-N
XLogP4.11
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-diphenylpyridine-4-carboxylic acid?
The IUPAC name of 2,6-diphenylpyridine-4-carboxylic acid (CID 3490694) is 2,6-diphenylpyridine-4-carboxylic acid.
What is the SMILES notation for 2,6-diphenylpyridine-4-carboxylic acid?
The canonical SMILES for 2,6-diphenylpyridine-4-carboxylic acid is O=C(O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1.
What is the InChIKey of 2,6-diphenylpyridine-4-carboxylic acid?
The InChIKey is PWKUURSWFJBXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c20-18(21)15-11-16(13-7-3-1-4-8-13)19-17(12-15)14-9-5-2-6-10-14/h1-12H,(H,20,21).
What are the key properties of 2,6-diphenylpyridine-4-carboxylic acid?
2,6-diphenylpyridine-4-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenylpyridine-4-carboxylic acid is sourced from PubChem (CID 3490694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).