2-(2,4-dimethylanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile

C15H12F3N3 — CID 79874745

IUPAC2-(2,4-dimethylanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1ccc(Nc2nc(C(F)(F)F)ccc2C#N)c(C)c1
InChIInChI=1S/C15H12F3N3/c1-9-3-5-12(10(2)7-9)20-14-11(8-19)4-6-13(21-14)15(16,17)18/h3-7H,1-2H3,(H,20,21)
InChIKeyJSIIGIGATYXICT-UHFFFAOYSA-N
MW291.28 g/mol
LogP4.33
Rot. Bonds2

About 2-(2,4-dimethylanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(2,4-dimethylanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 79874745) has the molecular formula C15H12F3N3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID79874745
Molecular FormulaC15H12F3N3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name2-(2,4-dimethylanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1ccc(Nc2nc(C(F)(F)F)ccc2C#N)c(C)c1
InChIInChI=1S/C15H12F3N3/c1-9-3-5-12(10(2)7-9)20-14-11(8-19)4-6-13(21-14)15(16,17)18/h3-7H,1-2H3,(H,20,21)
InChIKeyJSIIGIGATYXICT-UHFFFAOYSA-N
XLogP4.33
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(2,4-dimethylanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 79874745) is 2-(2,4-dimethylanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2,4-dimethylanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2,4-dimethylanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile is Cc1ccc(Nc2nc(C(F)(F)F)ccc2C#N)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is JSIIGIGATYXICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3/c1-9-3-5-12(10(2)7-9)20-14-11(8-19)4-6-13(21-14)15(16,17)18/h3-7H,1-2H3,(H,20,21).
What are the key properties of 2-(2,4-dimethylanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(2,4-dimethylanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 291.28 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79874745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).