6-(5-bromo-2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid

C12H7BrFNO3 — CID 82973284

IUPAC6-(5-bromo-2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc(Br)ccc2F)[nH]c1=O
InChIInChI=1S/C12H7BrFNO3/c13-6-1-3-9(14)8(5-6)10-4-2-7(12(17)18)11(16)15-10/h1-5H,(H,15,16)(H,17,18)
InChIKeySODGTDQIRFIOLW-UHFFFAOYSA-N
MW312.09 g/mol
LogP2.64
Rot. Bonds2

About 6-(5-bromo-2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid

6-(5-bromo-2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 82973284) has the molecular formula C12H7BrFNO3 and a molecular weight of 312.09 g/mol. Its IUPAC name is 6-(5-bromo-2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(5-bromo-2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID82973284
Molecular FormulaC12H7BrFNO3
Molecular Weight312.09 g/mol
Exact Mass310.96
IUPAC Name6-(5-bromo-2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc(Br)ccc2F)[nH]c1=O
InChIInChI=1S/C12H7BrFNO3/c13-6-1-3-9(14)8(5-6)10-4-2-7(12(17)18)11(16)15-10/h1-5H,(H,15,16)(H,17,18)
InChIKeySODGTDQIRFIOLW-UHFFFAOYSA-N
XLogP2.64
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.09
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-2-fluorophenyl)-2-methylbenzoic acid
CID 79743232
6-(5-bromo-2-fluorophenyl)-2-propylpyridine-3-carboxylic acid
CID 116533195
7-bromo-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690288
4-bromo-2-(4-fluorobenzoyl)benzoic acid
CID 22175464
5-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid
CID 114553149
5-(2-aminopyrimidin-4-yl)-2-(5-bromo-2-fluorophenyl)-1H-pyrrole-3-carboxylic acid
CID 70979559
2,4-dibromobenzoic acid
CID 11896
4-(5-bromo-2-fluorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862206
4-(5-bromo-2-fluorophenyl)-3-chlorobenzoic acid
CID 81308229
5-(5-bromo-2-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828179
5-(5-bromo-2-fluorophenyl)pyridine-3-carboxylic acid
CID 79743488
4-bromo-2-[(5-bromo-2-fluorophenyl)methylsulfanyl]benzoic acid
CID 115381798

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-(5-bromo-2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 82973284) is 6-(5-bromo-2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(5-bromo-2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-(5-bromo-2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2cc(Br)ccc2F)[nH]c1=O.
What is the InChIKey of 6-(5-bromo-2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is SODGTDQIRFIOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFNO3/c13-6-1-3-9(14)8(5-6)10-4-2-7(12(17)18)11(16)15-10/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 6-(5-bromo-2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
6-(5-bromo-2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 312.09 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 82973284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).