(5-bromo-2-oxo-1H-pyridin-4-yl) benzoate

C12H8BrNO3 — CID 14049677

IUPAC(5-bromo-2-oxo-1H-pyridin-4-yl) benzoate
SMILESO=C(Oc1cc(=O)[nH]cc1Br)c1ccccc1
InChIInChI=1S/C12H8BrNO3/c13-9-7-14-11(15)6-10(9)17-12(16)8-4-2-1-3-5-8/h1-7H,(H,14,15)
InChIKeyDWZDWBRUJCUNJJ-UHFFFAOYSA-N
MW294.10 g/mol
LogP2.36
Rot. Bonds2

About (5-bromo-2-oxo-1H-pyridin-4-yl) benzoate

(5-bromo-2-oxo-1H-pyridin-4-yl) benzoate (PubChem CID 14049677) has the molecular formula C12H8BrNO3 and a molecular weight of 294.10 g/mol. Its IUPAC name is (5-bromo-2-oxo-1H-pyridin-4-yl) benzoate.

Molecular Properties

Compound Name(5-bromo-2-oxo-1H-pyridin-4-yl) benzoate
PubChem CID14049677
Molecular FormulaC12H8BrNO3
Molecular Weight294.10 g/mol
Exact Mass292.97
IUPAC Name(5-bromo-2-oxo-1H-pyridin-4-yl) benzoate
SMILESO=C(Oc1cc(=O)[nH]cc1Br)c1ccccc1
InChIInChI=1S/C12H8BrNO3/c13-9-7-14-11(15)6-10(9)17-12(16)8-4-2-1-3-5-8/h1-7H,(H,14,15)
InChIKeyDWZDWBRUJCUNJJ-UHFFFAOYSA-N
XLogP2.36
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-bromo-2-oxo-1H-pyridin-4-yl) benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-oxo-1H-pyridin-4-yl) benzoate?
The IUPAC name of (5-bromo-2-oxo-1H-pyridin-4-yl) benzoate (CID 14049677) is (5-bromo-2-oxo-1H-pyridin-4-yl) benzoate.
What is the SMILES notation for (5-bromo-2-oxo-1H-pyridin-4-yl) benzoate?
The canonical SMILES for (5-bromo-2-oxo-1H-pyridin-4-yl) benzoate is O=C(Oc1cc(=O)[nH]cc1Br)c1ccccc1.
What is the InChIKey of (5-bromo-2-oxo-1H-pyridin-4-yl) benzoate?
The InChIKey is DWZDWBRUJCUNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNO3/c13-9-7-14-11(15)6-10(9)17-12(16)8-4-2-1-3-5-8/h1-7H,(H,14,15).
What are the key properties of (5-bromo-2-oxo-1H-pyridin-4-yl) benzoate?
(5-bromo-2-oxo-1H-pyridin-4-yl) benzoate has a molecular weight of 294.10 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-oxo-1H-pyridin-4-yl) benzoate is sourced from PubChem (CID 14049677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).