3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-2-carbonitrile

C7H3F3N2O — CID 119012442

IUPAC3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]cc(F)c(=O)c1C(F)F
InChIInChI=1S/C7H3F3N2O/c8-3-2-12-4(1-11)5(6(3)13)7(9)10/h2,7H,(H,12,13)
InChIKeyQRGYSUINPCYAQI-UHFFFAOYSA-N
MW188.11 g/mol
LogP1.32
Rot. Bonds1

About 3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-2-carbonitrile

3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-2-carbonitrile (PubChem CID 119012442) has the molecular formula C7H3F3N2O and a molecular weight of 188.11 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-2-carbonitrile
PubChem CID119012442
Molecular FormulaC7H3F3N2O
Molecular Weight188.11 g/mol
Exact Mass188.02
IUPAC Name3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]cc(F)c(=O)c1C(F)F
InChIInChI=1S/C7H3F3N2O/c8-3-2-12-4(1-11)5(6(3)13)7(9)10/h2,7H,(H,12,13)
InChIKeyQRGYSUINPCYAQI-UHFFFAOYSA-N
XLogP1.32
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-4-oxo-1H-pyridine-2-carbonitrile
CID 130952635
2-(Difluoromethyl)-5-fluoro-4-hydroxypyridine-3-acetonitrile
CID 118814933
2-(Aminomethyl)-5-cyano-3-(difluoromethyl)-4-hydroxypyridine
CID 118820029
2-(Difluoromethyl)-3-fluoro-4-hydroxypyridine-5-acetonitrile
CID 118820489
4-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbonitrile
CID 118821872
2-(Aminomethyl)-3-(difluoromethyl)-5-fluoro-4-hydroxypyridine
CID 118853558
5-(Difluoromethyl)-4-hydroxy-3-iodopicolinonitrile
CID 118991075
5-(Cyanomethyl)-3-(difluoromethyl)-4-hydroxypicolinonitrile
CID 118992594
5-(Difluoromethyl)-4-hydroxy-3-(trifluoromethyl)picolinonitrile
CID 118994612
3-(Difluoromethyl)-4,5-dihydroxypicolinonitrile
CID 119003177
3-(Difluoromethyl)-6-fluoro-4-hydroxypicolinonitrile
CID 119003263
3-(Difluoromethyl)-4-hydroxy-5-(trifluoromethyl)picolinonitrile
CID 119010924

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-2-carbonitrile?
The IUPAC name of 3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-2-carbonitrile (CID 119012442) is 3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-2-carbonitrile?
The canonical SMILES for 3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-2-carbonitrile is N#Cc1[nH]cc(F)c(=O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-2-carbonitrile?
The InChIKey is QRGYSUINPCYAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2O/c8-3-2-12-4(1-11)5(6(3)13)7(9)10/h2,7H,(H,12,13).
What are the key properties of 3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-2-carbonitrile?
3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-2-carbonitrile has a molecular weight of 188.11 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 119012442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).