5-bromo-4-fluoro-2-oxo-1H-pyridine-3-carbonitrile

C6H2BrFN2O — CID 145418575

IUPAC5-bromo-4-fluoro-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(F)c(Br)c[nH]c1=O
InChIInChI=1S/C6H2BrFN2O/c7-4-2-10-6(11)3(1-9)5(4)8/h2H,(H,10,11)
InChIKeyBHQPYKFBABWWOZ-UHFFFAOYSA-N
MW217.00 g/mol
LogP1.15
Rot. Bonds

About 5-bromo-4-fluoro-2-oxo-1H-pyridine-3-carbonitrile

5-bromo-4-fluoro-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 145418575) has the molecular formula C6H2BrFN2O and a molecular weight of 217.00 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID145418575
Molecular FormulaC6H2BrFN2O
Molecular Weight217.00 g/mol
Exact Mass215.93
IUPAC Name5-bromo-4-fluoro-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(F)c(Br)c[nH]c1=O
InChIInChI=1S/C6H2BrFN2O/c7-4-2-10-6(11)3(1-9)5(4)8/h2H,(H,10,11)
InChIKeyBHQPYKFBABWWOZ-UHFFFAOYSA-N
XLogP1.15
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.00
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-4-fluoro-2-oxo-1H-pyridine-3-carbonitrile (CID 145418575) is 5-bromo-4-fluoro-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-4-fluoro-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-4-fluoro-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(F)c(Br)c[nH]c1=O.
What is the InChIKey of 5-bromo-4-fluoro-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is BHQPYKFBABWWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrFN2O/c7-4-2-10-6(11)3(1-9)5(4)8/h2H,(H,10,11).
What are the key properties of 5-bromo-4-fluoro-2-oxo-1H-pyridine-3-carbonitrile?
5-bromo-4-fluoro-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 217.00 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 145418575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).