6-(2-bromo-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid

C12H7BrFNO3 — CID 114068631

IUPAC6-(2-bromo-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(F)cc2Br)[nH]c1=O
InChIInChI=1S/C12H7BrFNO3/c13-9-5-6(14)1-2-7(9)10-4-3-8(12(17)18)11(16)15-10/h1-5H,(H,15,16)(H,17,18)
InChIKeyORLUXRBSUQGBBR-UHFFFAOYSA-N
MW312.09 g/mol
LogP2.64
Rot. Bonds2

About 6-(2-bromo-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid

6-(2-bromo-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 114068631) has the molecular formula C12H7BrFNO3 and a molecular weight of 312.09 g/mol. Its IUPAC name is 6-(2-bromo-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-bromo-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID114068631
Molecular FormulaC12H7BrFNO3
Molecular Weight312.09 g/mol
Exact Mass310.96
IUPAC Name6-(2-bromo-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(F)cc2Br)[nH]c1=O
InChIInChI=1S/C12H7BrFNO3/c13-9-5-6(14)1-2-7(9)10-4-3-8(12(17)18)11(16)15-10/h1-5H,(H,15,16)(H,17,18)
InChIKeyORLUXRBSUQGBBR-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

2-Oxo-6-phenyl-1,2-dihydropyridine-3-carboxylic acid
CID 2767304
6-(2,4-Difluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 45496333
1-(2-Bromobenzyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 203510
6-(4-Fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 45496334
2-[(4-bromo-2-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxylic acid
CID 58360809
6-(3,4-difluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 61658692
1,2-Dihydro-2-oxo-6-[4-(trifluoromethyl)phenyl]-3-pyridinecarboxylic acid
CID 61658734
6-[(4-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 68838734
6-[(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 69044575
5-ethyl-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281909
2-(4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 71282059
6-(3,5-Difluorophenyl)-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid
CID 80207438

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-bromo-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 114068631) is 6-(2-bromo-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-bromo-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-bromo-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2ccc(F)cc2Br)[nH]c1=O.
What is the InChIKey of 6-(2-bromo-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is ORLUXRBSUQGBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFNO3/c13-9-5-6(14)1-2-7(9)10-4-3-8(12(17)18)11(16)15-10/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 6-(2-bromo-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
6-(2-bromo-4-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-(2-bromo-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 114068631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).