1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile

C9H7F3N2O — CID 1471023

IUPAC1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1cc(C(F)(F)F)c(C#N)c(=O)n1C
InChIInChI=1S/C9H7F3N2O/c1-5-3-7(9(10,11)12)6(4-13)8(15)14(5)2/h3H,1-2H3
InChIKeyCAQWBTOYCLQHRI-UHFFFAOYSA-N
MW216.16 g/mol
LogP1.58
Rot. Bonds

About 1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile

1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 1471023) has the molecular formula C9H7F3N2O and a molecular weight of 216.16 g/mol. Its IUPAC name is 1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID1471023
Molecular FormulaC9H7F3N2O
Molecular Weight216.16 g/mol
Exact Mass216.05
IUPAC Name1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1cc(C(F)(F)F)c(C#N)c(=O)n1C
InChIInChI=1S/C9H7F3N2O/c1-5-3-7(9(10,11)12)6(4-13)8(15)14(5)2/h3H,1-2H3
InChIKeyCAQWBTOYCLQHRI-UHFFFAOYSA-N
XLogP1.58
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
CID 247440
Nicotinonitrile, 1,2-dihydro-2-oxo-1,4,6-trimethyl-
CID 46479
1-Ethyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 1504759
1-Allyl-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
CID 1485466
4,6-Dimethyl-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile
CID 4380373
2-Hydroxy-4-methyl-6-(trifluoromethyl)nicotinonitrile
CID 674145
1-(Cyanomethyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 53243166
1,6-dimethyl-4-(trifluoromethyl)-3H-pyridin-3-id-2-one;iodozinc(1+)
CID 134859364
3-Cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinepropanenitrile
CID 57364615
2-[3-Methyl-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetonitrile
CID 14836978
1-(Cyanomethyl)-2-oxo-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 14836981
1,6-Dimethyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 22382014

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 1471023) is 1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile is Cc1cc(C(F)(F)F)c(C#N)c(=O)n1C.
What is the InChIKey of 1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is CAQWBTOYCLQHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O/c1-5-3-7(9(10,11)12)6(4-13)8(15)14(5)2/h3H,1-2H3.
What are the key properties of 1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 216.16 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 1471023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).