2-(dimethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

C15H12F3N3 — CID 1477169

IUPAC2-(dimethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCN(C)c1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C15H12F3N3/c1-21(2)14-11(9-19)12(15(16,17)18)8-13(20-14)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyXDMHFHIEGRYJPS-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.71
Rot. Bonds2

About 2-(dimethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

2-(dimethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 1477169) has the molecular formula C15H12F3N3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 2-(dimethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID1477169
Molecular FormulaC15H12F3N3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name2-(dimethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCN(C)c1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C15H12F3N3/c1-21(2)14-11(9-19)12(15(16,17)18)8-13(20-14)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyXDMHFHIEGRYJPS-UHFFFAOYSA-N
XLogP3.71
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(dimethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 1477169) is 2-(dimethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(dimethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(dimethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is CN(C)c1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N.
What is the InChIKey of 2-(dimethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is XDMHFHIEGRYJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3/c1-21(2)14-11(9-19)12(15(16,17)18)8-13(20-14)10-6-4-3-5-7-10/h3-8H,1-2H3.
What are the key properties of 2-(dimethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-(dimethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 291.28 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 1477169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).