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

C14H10F3N3 — CID 1477168

IUPAC2-(methylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCNc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C14H10F3N3/c1-19-13-10(8-18)11(14(15,16)17)7-12(20-13)9-5-3-2-4-6-9/h2-7H,1H3,(H,19,20)
InChIKeyIQSUMGYMCFDAJM-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.68
Rot. Bonds2

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

2-(methylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 1477168) has the molecular formula C14H10F3N3 and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-(methylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(methylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID1477168
Molecular FormulaC14H10F3N3
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name2-(methylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCNc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C14H10F3N3/c1-19-13-10(8-18)11(14(15,16)17)7-12(20-13)9-5-3-2-4-6-9/h2-7H,1H3,(H,19,20)
InChIKeyIQSUMGYMCFDAJM-UHFFFAOYSA-N
XLogP3.68
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(methylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 1477168) is 2-(methylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(methylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(methylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is CNc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N.
What is the InChIKey of 2-(methylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is IQSUMGYMCFDAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3/c1-19-13-10(8-18)11(14(15,16)17)7-12(20-13)9-5-3-2-4-6-9/h2-7H,1H3,(H,19,20).
What are the key properties of 2-(methylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-(methylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 277.25 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 1477168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).