2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3,5-dicarbonitrile

C16H12F3N3 — CID 78479114

IUPAC2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=NC(C)=C(C#N)C(c2ccccc2C(F)(F)F)C1C#N
InChIInChI=1S/C16H12F3N3/c1-9-12(7-20)15(13(8-21)10(2)22-9)11-5-3-4-6-14(11)16(17,18)19/h3-6,12,15H,1-2H3
InChIKeyCXGTVPIKXVBEKH-UHFFFAOYSA-N
MW303.29 g/mol
LogP4.20
Rot. Bonds1

About 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3,5-dicarbonitrile

2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 78479114) has the molecular formula C16H12F3N3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID78479114
Molecular FormulaC16H12F3N3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=NC(C)=C(C#N)C(c2ccccc2C(F)(F)F)C1C#N
InChIInChI=1S/C16H12F3N3/c1-9-12(7-20)15(13(8-21)10(2)22-9)11-5-3-4-6-14(11)16(17,18)19/h3-6,12,15H,1-2H3
InChIKeyCXGTVPIKXVBEKH-UHFFFAOYSA-N
XLogP4.20
TPSA59.94 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(Benzhydrylideneamino)-2,2,2-trifluoroethylidene]propanedinitrile
CID 1534267
5-(2-Cyanoethyl)-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carbonitrile
CID 134880938
2-(C,N-dimethylcarbonimidoyl)benzonitrile
CID 117805797
2,6-Dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarbonitr ile
CID 5076046
2,3,5,6-Tetramethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine
CID 53880143
2,6-Dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine
CID 56614996
2,3,5,6-Tetramethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine
CID 57224216
4-fluoro-1-methyl-3-(2-methylphenyl)-3aH-isoindole
CID 68595036
4-(3-Cyano-4-fluorophenyl)-5-isocyano-2,6-dimethyl-3,4-dihydropyridine-3-carbonitrile
CID 90910332
4-(3-Cyano-4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
CID 91221853
2-[3-(4-Fluorophenyl)-4-methyliminocyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 118121495
4-(4-Fluorophenyl)-2,3,6-trimethyl-3,4-dihydropyridine-5-carbonitrile
CID 123453252

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3,5-dicarbonitrile (CID 78479114) is 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3,5-dicarbonitrile is CC1=NC(C)=C(C#N)C(c2ccccc2C(F)(F)F)C1C#N.
What is the InChIKey of 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is CXGTVPIKXVBEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3/c1-9-12(7-20)15(13(8-21)10(2)22-9)11-5-3-4-6-14(11)16(17,18)19/h3-6,12,15H,1-2H3.
What are the key properties of 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3,5-dicarbonitrile?
2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 303.29 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 78479114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).