5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carboxamide

C6H4BrFN2O2 — CID 118598602

IUPAC5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carboxamide
SMILESNC(=O)c1cc(F)c(Br)c(=O)[nH]1
InChIInChI=1S/C6H4BrFN2O2/c7-4-2(8)1-3(5(9)11)10-6(4)12/h1H,(H2,9,11)(H,10,12)
InChIKeyMWYCFWNCKVGWAL-UHFFFAOYSA-N
MW235.01 g/mol
LogP0.38
Rot. Bonds1

About 5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carboxamide

5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 118598602) has the molecular formula C6H4BrFN2O2 and a molecular weight of 235.01 g/mol. Its IUPAC name is 5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carboxamide
PubChem CID118598602
Molecular FormulaC6H4BrFN2O2
Molecular Weight235.01 g/mol
Exact Mass233.94
IUPAC Name5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carboxamide
SMILESNC(=O)c1cc(F)c(Br)c(=O)[nH]1
InChIInChI=1S/C6H4BrFN2O2/c7-4-2(8)1-3(5(9)11)10-6(4)12/h1H,(H2,9,11)(H,10,12)
InChIKeyMWYCFWNCKVGWAL-UHFFFAOYSA-N
XLogP0.38
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.01
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-5-bromo-6-methylpyridin-2-ol
CID 33695058
5-bromo-3-fluoro-6-oxo-1H-pyridine-2-carboxamide
CID 118598845
3-fluoro-6-oxo-1H-pyridine-2-carboxamide
CID 140875374
3-Amino-5-bromo-6-fluoropyridin-2(1H)-one
CID 164560229
3-amino-5-bromo-6-(trifluoromethyl)-1H-pyridin-2-one
CID 105511959
4-Bromo-3-(difluoromethyl)-2-hydroxypyridine-6-carboxamide
CID 118804786
3-amino-4-bromo-6-(difluoromethyl)-1H-pyridin-2-one
CID 130101698
3-amino-5-bromo-6-(difluoromethyl)-1H-pyridin-2-one
CID 130101704
5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide
CID 130110705
5-bromo-3-isocyano-6-methyl-1H-pyridin-2-one
CID 59107044
5-Bromo-6-oxo-1,6-dihydropyridine-2-carboxamide
CID 73554985
5-Bromo-3-chloro-6-oxo-1,6-dihydropyridine-2-carboxamide
CID 118599044

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of 5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carboxamide (CID 118598602) is 5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carboxamide is NC(=O)c1cc(F)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is MWYCFWNCKVGWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFN2O2/c7-4-2(8)1-3(5(9)11)10-6(4)12/h1H,(H2,9,11)(H,10,12).
What are the key properties of 5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carboxamide?
5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 235.01 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 118598602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).