5-bromo-3-fluoro-6-oxo-1H-pyridine-2-carboxamide

C6H4BrFN2O2 — CID 118598845

IUPAC5-bromo-3-fluoro-6-oxo-1H-pyridine-2-carboxamide
SMILESNC(=O)c1[nH]c(=O)c(Br)cc1F
InChIInChI=1S/C6H4BrFN2O2/c7-2-1-3(8)4(5(9)11)10-6(2)12/h1H,(H2,9,11)(H,10,12)
InChIKeyJHRBTCPRRKVEME-UHFFFAOYSA-N
MW235.01 g/mol
LogP0.38
Rot. Bonds1

About 5-bromo-3-fluoro-6-oxo-1H-pyridine-2-carboxamide

5-bromo-3-fluoro-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 118598845) has the molecular formula C6H4BrFN2O2 and a molecular weight of 235.01 g/mol. Its IUPAC name is 5-bromo-3-fluoro-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-fluoro-6-oxo-1H-pyridine-2-carboxamide
PubChem CID118598845
Molecular FormulaC6H4BrFN2O2
Molecular Weight235.01 g/mol
Exact Mass233.94
IUPAC Name5-bromo-3-fluoro-6-oxo-1H-pyridine-2-carboxamide
SMILESNC(=O)c1[nH]c(=O)c(Br)cc1F
InChIInChI=1S/C6H4BrFN2O2/c7-2-1-3(8)4(5(9)11)10-6(2)12/h1H,(H2,9,11)(H,10,12)
InChIKeyJHRBTCPRRKVEME-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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of 5-bromo-3-fluoro-6-oxo-1H-pyridine-2-carboxamide (CID 118598845) is 5-bromo-3-fluoro-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-3-fluoro-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-3-fluoro-6-oxo-1H-pyridine-2-carboxamide is NC(=O)c1[nH]c(=O)c(Br)cc1F.
What is the InChIKey of 5-bromo-3-fluoro-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is JHRBTCPRRKVEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFN2O2/c7-2-1-3(8)4(5(9)11)10-6(2)12/h1H,(H2,9,11)(H,10,12).
What are the key properties of 5-bromo-3-fluoro-6-oxo-1H-pyridine-2-carboxamide?
5-bromo-3-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-3-fluoro-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 118598845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).