6-oxo-1-phenylpyridine-3-carboxylic acid

C12H9NO3 — CID 11988812

IUPAC6-oxo-1-phenylpyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(-c2ccccc2)c1
InChIInChI=1S/C12H9NO3/c14-11-7-6-9(12(15)16)8-13(11)10-4-2-1-3-5-10/h1-8H,(H,15,16)
InChIKeyPETUTZMMIOWORO-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.54
Rot. Bonds2

About 6-oxo-1-phenylpyridine-3-carboxylic acid

6-oxo-1-phenylpyridine-3-carboxylic acid (PubChem CID 11988812) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 6-oxo-1-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-phenylpyridine-3-carboxylic acid
PubChem CID11988812
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name6-oxo-1-phenylpyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(-c2ccccc2)c1
InChIInChI=1S/C12H9NO3/c14-11-7-6-9(12(15)16)8-13(11)10-4-2-1-3-5-10/h1-8H,(H,15,16)
InChIKeyPETUTZMMIOWORO-UHFFFAOYSA-N
XLogP1.54
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-phenylpyridine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-phenylpyridine-3-carboxylic acid (CID 11988812) is 6-oxo-1-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-phenylpyridine-3-carboxylic acid is O=C(O)c1ccc(=O)n(-c2ccccc2)c1.
What is the InChIKey of 6-oxo-1-phenylpyridine-3-carboxylic acid?
The InChIKey is PETUTZMMIOWORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c14-11-7-6-9(12(15)16)8-13(11)10-4-2-1-3-5-10/h1-8H,(H,15,16).
What are the key properties of 6-oxo-1-phenylpyridine-3-carboxylic acid?
6-oxo-1-phenylpyridine-3-carboxylic acid has a molecular weight of 215.21 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 11988812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).