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

C9H5F2N3O — CID 118822034

IUPAC5-(cyanomethyl)-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile
SMILESN#CCc1c[nH]c(=O)c(C(F)F)c1C#N
InChIInChI=1S/C9H5F2N3O/c10-8(11)7-6(3-13)5(1-2-12)4-14-9(7)15/h4,8H,1H2,(H,14,15)
InChIKeyOFBNUGTWMHTLOA-UHFFFAOYSA-N
MW209.16 g/mol
LogP1.25
Rot. Bonds2

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

5-(cyanomethyl)-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile (PubChem CID 118822034) has the molecular formula C9H5F2N3O and a molecular weight of 209.16 g/mol. Its IUPAC name is 5-(cyanomethyl)-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name5-(cyanomethyl)-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile
PubChem CID118822034
Molecular FormulaC9H5F2N3O
Molecular Weight209.16 g/mol
Exact Mass209.04
IUPAC Name5-(cyanomethyl)-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile
SMILESN#CCc1c[nH]c(=O)c(C(F)F)c1C#N
InChIInChI=1S/C9H5F2N3O/c10-8(11)7-6(3-13)5(1-2-12)4-14-9(7)15/h4,8H,1H2,(H,14,15)
InChIKeyOFBNUGTWMHTLOA-UHFFFAOYSA-N
XLogP1.25
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 130083854
2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 130097132
2-[4-(difluoromethyl)-5-hydroxy-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 118852469
methyl 4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate
CID 130076956
2-[5-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetonitrile
CID 130084750
2-[6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridin-3-yl]acetonitrile
CID 118842993
2-(cyanomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
CID 130076765
4-(difluoromethyl)-5-nitro-2-oxo-1H-pyridine-3-carbonitrile
CID 130076538
2-(aminomethyl)-5-(cyanomethyl)-3-(difluoromethyl)pyridine-4-carbonitrile
CID 118808807
5-(chloromethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
CID 130076689
3-(difluoromethyl)-4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one
CID 130079585
2-[3-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 130083383

Frequently Asked Questions

What is the IUPAC name of 5-(cyanomethyl)-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile?
The IUPAC name of 5-(cyanomethyl)-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile (CID 118822034) is 5-(cyanomethyl)-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile.
What is the SMILES notation for 5-(cyanomethyl)-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile?
The canonical SMILES for 5-(cyanomethyl)-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile is N#CCc1c[nH]c(=O)c(C(F)F)c1C#N.
What is the InChIKey of 5-(cyanomethyl)-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile?
The InChIKey is OFBNUGTWMHTLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2N3O/c10-8(11)7-6(3-13)5(1-2-12)4-14-9(7)15/h4,8H,1H2,(H,14,15).
What are the key properties of 5-(cyanomethyl)-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile?
5-(cyanomethyl)-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile has a molecular weight of 209.16 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyanomethyl)-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile is sourced from PubChem (CID 118822034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).