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

C6H3FN2O — CID 130983570

IUPAC3-fluoro-6-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(=O)ccc1F
InChIInChI=1S/C6H3FN2O/c7-4-1-2-6(10)9-5(4)3-8/h1-2H,(H,9,10)
InChIKeyMGBBUZXIZXKHPI-UHFFFAOYSA-N
MW138.10 g/mol
LogP0.39
Rot. Bonds

About 3-fluoro-6-oxo-1H-pyridine-2-carbonitrile

3-fluoro-6-oxo-1H-pyridine-2-carbonitrile (PubChem CID 130983570) has the molecular formula C6H3FN2O and a molecular weight of 138.10 g/mol. Its IUPAC name is 3-fluoro-6-oxo-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-fluoro-6-oxo-1H-pyridine-2-carbonitrile
PubChem CID130983570
Molecular FormulaC6H3FN2O
Molecular Weight138.10 g/mol
Exact Mass138.02
IUPAC Name3-fluoro-6-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(=O)ccc1F
InChIInChI=1S/C6H3FN2O/c7-4-1-2-6(10)9-5(4)3-8/h1-2H,(H,9,10)
InChIKeyMGBBUZXIZXKHPI-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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Related Compounds

6-Oxo-1,6-dihydropyridine-2-carbonitrile
CID 11240466
3-Bromo-6-oxo-1,6-dihydropyridine-2-carbonitrile
CID 66875102
5-Fluoro-6-methylpyridin-2(1H)-one
CID 72212935
5-Fluoro-6-oxo-1,6-dihydropyridine-2-carbonitrile
CID 118955382
5-isocyano-6-methyl-1H-pyridin-2-one
CID 87849503
5-Cyanomethylene-3-pyrrolin-2-one
CID 129708017
2(1H)-Pyridinone, 6-(fluoromethyl)-
CID 10464359
3,5-Difluoro-6-oxo-1,6-dihydropyridine-2-carbonitrile
CID 69170447
5-Amino-6-(trifluoromethyl)pyridin-2-ol
CID 82599644
4-Fluoro-6-oxo-1,6-dihydropyridine-2-carbonitrile
CID 21253964
3-Fluoro-6-hydroxy-2-(trifluoromethyl)pyridine
CID 82600811
5-amino-6-fluoro-1H-pyridin-2-one
CID 129919071

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-oxo-1H-pyridine-2-carbonitrile?
The IUPAC name of 3-fluoro-6-oxo-1H-pyridine-2-carbonitrile (CID 130983570) is 3-fluoro-6-oxo-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 3-fluoro-6-oxo-1H-pyridine-2-carbonitrile?
The canonical SMILES for 3-fluoro-6-oxo-1H-pyridine-2-carbonitrile is N#Cc1[nH]c(=O)ccc1F.
What is the InChIKey of 3-fluoro-6-oxo-1H-pyridine-2-carbonitrile?
The InChIKey is MGBBUZXIZXKHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FN2O/c7-4-1-2-6(10)9-5(4)3-8/h1-2H,(H,9,10).
What are the key properties of 3-fluoro-6-oxo-1H-pyridine-2-carbonitrile?
3-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 3-fluoro-6-oxo-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 130983570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).