2-phenylpyridine-4-carboxylic acid

C12H9NO2 — CID 2762845

IUPAC2-phenylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccccc2)c1
InChIInChI=1S/C12H9NO2/c14-12(15)10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-8H,(H,14,15)
InChIKeyOMMKWOVBOKXXQU-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.45
Rot. Bonds2

About 2-phenylpyridine-4-carboxylic acid

2-phenylpyridine-4-carboxylic acid (PubChem CID 2762845) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-phenylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-phenylpyridine-4-carboxylic acid
PubChem CID2762845
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name2-phenylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccccc2)c1
InChIInChI=1S/C12H9NO2/c14-12(15)10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-8H,(H,14,15)
InChIKeyOMMKWOVBOKXXQU-UHFFFAOYSA-N
XLogP2.45
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylpyridine-4-carboxylic acid?
The IUPAC name of 2-phenylpyridine-4-carboxylic acid (CID 2762845) is 2-phenylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-phenylpyridine-4-carboxylic acid?
The canonical SMILES for 2-phenylpyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2ccccc2)c1.
What is the InChIKey of 2-phenylpyridine-4-carboxylic acid?
The InChIKey is OMMKWOVBOKXXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c14-12(15)10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-8H,(H,14,15).
What are the key properties of 2-phenylpyridine-4-carboxylic acid?
2-phenylpyridine-4-carboxylic acid has a molecular weight of 199.21 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpyridine-4-carboxylic acid is sourced from PubChem (CID 2762845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).