3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbonitrile

C8H6F2N2O — CID 130076512

IUPAC3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbonitrile
SMILESCc1cc(C#N)c(C(F)F)c(=O)[nH]1
InChIInChI=1S/C8H6F2N2O/c1-4-2-5(3-11)6(7(9)10)8(13)12-4/h2,7H,1H3,(H,12,13)
InChIKeyYQCOHHFQPDNJHL-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.49
Rot. Bonds1

About 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbonitrile

3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbonitrile (PubChem CID 130076512) has the molecular formula C8H6F2N2O and a molecular weight of 184.15 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbonitrile
PubChem CID130076512
Molecular FormulaC8H6F2N2O
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbonitrile
SMILESCc1cc(C#N)c(C(F)F)c(=O)[nH]1
InChIInChI=1S/C8H6F2N2O/c1-4-2-5(3-11)6(7(9)10)8(13)12-4/h2,7H,1H3,(H,12,13)
InChIKeyYQCOHHFQPDNJHL-UHFFFAOYSA-N
XLogP1.49
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-(difluoromethyl)-6-methyl-1H-pyridin-2-one
CID 118823289
methyl 2-[4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
CID 134685667
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
CID 119016026
2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
CID 119010938
3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carbonitrile
CID 130100027
3-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-4-carbonitrile
CID 130076467
2-tert-butyl-5-methyl-1H-pyrrole-3-carbonitrile
CID 53254564
5-(difluoromethyl)-4-methoxy-6-oxo-1H-pyridine-2-carbonitrile
CID 130076436
4-[2-(difluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585529
ethyl 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carboxylate
CID 133103413
5-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile
CID 130076699
ethyl 2-[3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridin-4-yl]acetate
CID 133103021

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbonitrile?
The IUPAC name of 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbonitrile (CID 130076512) is 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbonitrile.
What is the SMILES notation for 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbonitrile?
The canonical SMILES for 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbonitrile is Cc1cc(C#N)c(C(F)F)c(=O)[nH]1.
What is the InChIKey of 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbonitrile?
The InChIKey is YQCOHHFQPDNJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O/c1-4-2-5(3-11)6(7(9)10)8(13)12-4/h2,7H,1H3,(H,12,13).
What are the key properties of 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbonitrile?
3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbonitrile has a molecular weight of 184.15 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbonitrile is sourced from PubChem (CID 130076512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).