N-(4-bromo-3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide

C12H8BrFN2O2 — CID 65435783

IUPACN-(4-bromo-3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)c(F)c1)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H8BrFN2O2/c13-9-3-2-8(5-10(9)14)16-12(18)7-1-4-11(17)15-6-7/h1-6H,(H,15,17)(H,16,18)
InChIKeyXKGRICONWGPOSI-UHFFFAOYSA-N
MW311.11 g/mol
LogP2.53
Rot. Bonds2

About N-(4-bromo-3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide

N-(4-bromo-3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 65435783) has the molecular formula C12H8BrFN2O2 and a molecular weight of 311.11 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID65435783
Molecular FormulaC12H8BrFN2O2
Molecular Weight311.11 g/mol
Exact Mass309.98
IUPAC NameN-(4-bromo-3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)c(F)c1)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H8BrFN2O2/c13-9-3-2-8(5-10(9)14)16-12(18)7-1-4-11(17)15-6-7/h1-6H,(H,15,17)(H,16,18)
InChIKeyXKGRICONWGPOSI-UHFFFAOYSA-N
XLogP2.53
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.11
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
N-(4-bromo-2,5-difluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 103842478
N-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 8745096
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 65434489
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 65437841
N-(1,3-dioxoisoindol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 28834338
6-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-pyridine-3-carboxamide
CID 26017164
N-(2-bromo-5-iodophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 113231003
N-(4-bromo-3-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 65430680
N-(2-bromo-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 82707211
4-bromo-N-(4-bromo-3-ethylphenyl)-3-fluorobenzamide;ethane
CID 165118072
N-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide
CID 112695627

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide (CID 65435783) is N-(4-bromo-3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide is O=C(Nc1ccc(Br)c(F)c1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XKGRICONWGPOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O2/c13-9-3-2-8(5-10(9)14)16-12(18)7-1-4-11(17)15-6-7/h1-6H,(H,15,17)(H,16,18).
What are the key properties of N-(4-bromo-3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(4-bromo-3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 311.11 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 65435783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).