6-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyridine-3-carbonitrile

C12H7F3N4 — CID 155906031

IUPAC6-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Cc2cnc(C(F)(F)F)nc2)nc1
InChIInChI=1S/C12H7F3N4/c13-12(14,15)11-18-6-9(7-19-11)3-10-2-1-8(4-16)5-17-10/h1-2,5-7H,3H2
InChIKeyWBMPLQDJEGPMOE-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.35
Rot. Bonds2

About 6-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyridine-3-carbonitrile

6-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyridine-3-carbonitrile (PubChem CID 155906031) has the molecular formula C12H7F3N4 and a molecular weight of 264.21 g/mol. Its IUPAC name is 6-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyridine-3-carbonitrile
PubChem CID155906031
Molecular FormulaC12H7F3N4
Molecular Weight264.21 g/mol
Exact Mass264.06
IUPAC Name6-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Cc2cnc(C(F)(F)F)nc2)nc1
InChIInChI=1S/C12H7F3N4/c13-12(14,15)11-18-6-9(7-19-11)3-10-2-1-8(4-16)5-17-10/h1-2,5-7H,3H2
InChIKeyWBMPLQDJEGPMOE-UHFFFAOYSA-N
XLogP2.35
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyridine-3-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 6-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyridine-3-carbonitrile (CID 155906031) is 6-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyridine-3-carbonitrile is N#Cc1ccc(Cc2cnc(C(F)(F)F)nc2)nc1.
What is the InChIKey of 6-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyridine-3-carbonitrile?
The InChIKey is WBMPLQDJEGPMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4/c13-12(14,15)11-18-6-9(7-19-11)3-10-2-1-8(4-16)5-17-10/h1-2,5-7H,3H2.
What are the key properties of 6-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyridine-3-carbonitrile?
6-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyridine-3-carbonitrile has a molecular weight of 264.21 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 155906031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).