2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile

C14H10F3N3 — CID 62880130

IUPAC2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H10F3N3/c15-14(16,17)12-3-1-10(2-4-12)9-20-13-7-11(8-18)5-6-19-13/h1-7H,9H2,(H,19,20)
InChIKeyHTNQFNBERAPRSN-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.58
Rot. Bonds3

About 2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile

2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile (PubChem CID 62880130) has the molecular formula C14H10F3N3 and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
PubChem CID62880130
Molecular FormulaC14H10F3N3
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H10F3N3/c15-14(16,17)12-3-1-10(2-4-12)9-20-13-7-11(8-18)5-6-19-13/h1-7H,9H2,(H,19,20)
InChIKeyHTNQFNBERAPRSN-UHFFFAOYSA-N
XLogP3.58
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile (CID 62880130) is 2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile is N#Cc1ccnc(NCc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile?
The InChIKey is HTNQFNBERAPRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3/c15-14(16,17)12-3-1-10(2-4-12)9-20-13-7-11(8-18)5-6-19-13/h1-7H,9H2,(H,19,20).
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile?
2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile has a molecular weight of 277.25 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 62880130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).