4-(4-oxo-1H-pyridin-2-yl)benzoic acid

C12H9NO3 — CID 53229319

IUPAC4-(4-oxo-1H-pyridin-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2cc(=O)cc[nH]2)cc1
InChIInChI=1S/C12H9NO3/c14-10-5-6-13-11(7-10)8-1-3-9(4-2-8)12(15)16/h1-7H,(H,13,14)(H,15,16)
InChIKeyWLJPEXBORICYCL-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.74
Rot. Bonds2

About 4-(4-oxo-1H-pyridin-2-yl)benzoic acid

4-(4-oxo-1H-pyridin-2-yl)benzoic acid (PubChem CID 53229319) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 4-(4-oxo-1H-pyridin-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(4-oxo-1H-pyridin-2-yl)benzoic acid
PubChem CID53229319
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name4-(4-oxo-1H-pyridin-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2cc(=O)cc[nH]2)cc1
InChIInChI=1S/C12H9NO3/c14-10-5-6-13-11(7-10)8-1-3-9(4-2-8)12(15)16/h1-7H,(H,13,14)(H,15,16)
InChIKeyWLJPEXBORICYCL-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-(4-oxo-1H-pyridin-2-yl)benzoic acid?
The IUPAC name of 4-(4-oxo-1H-pyridin-2-yl)benzoic acid (CID 53229319) is 4-(4-oxo-1H-pyridin-2-yl)benzoic acid.
What is the SMILES notation for 4-(4-oxo-1H-pyridin-2-yl)benzoic acid?
The canonical SMILES for 4-(4-oxo-1H-pyridin-2-yl)benzoic acid is O=C(O)c1ccc(-c2cc(=O)cc[nH]2)cc1.
What is the InChIKey of 4-(4-oxo-1H-pyridin-2-yl)benzoic acid?
The InChIKey is WLJPEXBORICYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c14-10-5-6-13-11(7-10)8-1-3-9(4-2-8)12(15)16/h1-7H,(H,13,14)(H,15,16).
What are the key properties of 4-(4-oxo-1H-pyridin-2-yl)benzoic acid?
4-(4-oxo-1H-pyridin-2-yl)benzoic 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-(4-oxo-1H-pyridin-2-yl)benzoic acid is sourced from PubChem (CID 53229319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).