4-oxo-2-phenyl-1H-pyridine-3-carboxylic acid

C12H9NO3 — CID 70434832

IUPAC4-oxo-2-phenyl-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)[nH]ccc1=O
InChIInChI=1S/C12H9NO3/c14-9-6-7-13-11(10(9)12(15)16)8-4-2-1-3-5-8/h1-7H,(H,13,14)(H,15,16)
InChIKeyWEJNMEALTFGNDB-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.74
Rot. Bonds2

About 4-oxo-2-phenyl-1H-pyridine-3-carboxylic acid

4-oxo-2-phenyl-1H-pyridine-3-carboxylic acid (PubChem CID 70434832) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 4-oxo-2-phenyl-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-2-phenyl-1H-pyridine-3-carboxylic acid
PubChem CID70434832
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name4-oxo-2-phenyl-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)[nH]ccc1=O
InChIInChI=1S/C12H9NO3/c14-9-6-7-13-11(10(9)12(15)16)8-4-2-1-3-5-8/h1-7H,(H,13,14)(H,15,16)
InChIKeyWEJNMEALTFGNDB-UHFFFAOYSA-N
XLogP1.74
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-phenyl-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-oxo-2-phenyl-1H-pyridine-3-carboxylic acid (CID 70434832) is 4-oxo-2-phenyl-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-2-phenyl-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-oxo-2-phenyl-1H-pyridine-3-carboxylic acid is O=C(O)c1c(-c2ccccc2)[nH]ccc1=O.
What is the InChIKey of 4-oxo-2-phenyl-1H-pyridine-3-carboxylic acid?
The InChIKey is WEJNMEALTFGNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c14-9-6-7-13-11(10(9)12(15)16)8-4-2-1-3-5-8/h1-7H,(H,13,14)(H,15,16).
What are the key properties of 4-oxo-2-phenyl-1H-pyridine-3-carboxylic acid?
4-oxo-2-phenyl-1H-pyridine-3-carboxylic acid has a molecular weight of 215.21 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-phenyl-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 70434832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).