4-fluoro-6-oxo-1H-pyridine-2-carbonitrile

C6H3FN2O — CID 21253964

IUPAC4-fluoro-6-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1cc(F)cc(=O)[nH]1
InChIInChI=1S/C6H3FN2O/c7-4-1-5(3-8)9-6(10)2-4/h1-2H,(H,9,10)
InChIKeyBJZHSZPQMPLVFM-UHFFFAOYSA-N
MW138.10 g/mol
LogP0.39
Rot. Bonds

About 4-fluoro-6-oxo-1H-pyridine-2-carbonitrile

4-fluoro-6-oxo-1H-pyridine-2-carbonitrile (PubChem CID 21253964) has the molecular formula C6H3FN2O and a molecular weight of 138.10 g/mol. Its IUPAC name is 4-fluoro-6-oxo-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-fluoro-6-oxo-1H-pyridine-2-carbonitrile
PubChem CID21253964
Molecular FormulaC6H3FN2O
Molecular Weight138.10 g/mol
Exact Mass138.02
IUPAC Name4-fluoro-6-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1cc(F)cc(=O)[nH]1
InChIInChI=1S/C6H3FN2O/c7-4-1-5(3-8)9-6(10)2-4/h1-2H,(H,9,10)
InChIKeyBJZHSZPQMPLVFM-UHFFFAOYSA-N
XLogP0.39
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.10
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-oxo-1H-pyridine-2-carbonitrile?
The IUPAC name of 4-fluoro-6-oxo-1H-pyridine-2-carbonitrile (CID 21253964) is 4-fluoro-6-oxo-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 4-fluoro-6-oxo-1H-pyridine-2-carbonitrile?
The canonical SMILES for 4-fluoro-6-oxo-1H-pyridine-2-carbonitrile is N#Cc1cc(F)cc(=O)[nH]1.
What is the InChIKey of 4-fluoro-6-oxo-1H-pyridine-2-carbonitrile?
The InChIKey is BJZHSZPQMPLVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FN2O/c7-4-1-5(3-8)9-6(10)2-4/h1-2H,(H,9,10).
What are the key properties of 4-fluoro-6-oxo-1H-pyridine-2-carbonitrile?
4-fluoro-6-oxo-1H-pyridine-2-carbonitrile has a molecular weight of 138.10 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-oxo-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 21253964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).