5-methyl-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-4-(trifluoromethyl)pyridine

C18H16F3N — CID 118857285

IUPAC5-methyl-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-4-(trifluoromethyl)pyridine
SMILESCc1cnc(-c2ccc3c(c2)C2CCC3C2)cc1C(F)(F)F
InChIInChI=1S/C18H16F3N/c1-10-9-22-17(8-16(10)18(19,20)21)13-4-5-14-11-2-3-12(6-11)15(14)7-13/h4-5,7-9,11-12H,2-3,6H2,1H3
InChIKeySWPJOCDYFIGBPB-UHFFFAOYSA-N
MW303.33 g/mol
LogP5.44
Rot. Bonds1

About 5-methyl-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-4-(trifluoromethyl)pyridine

5-methyl-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-4-(trifluoromethyl)pyridine (PubChem CID 118857285) has the molecular formula C18H16F3N and a molecular weight of 303.33 g/mol. Its IUPAC name is 5-methyl-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-methyl-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-4-(trifluoromethyl)pyridine
PubChem CID118857285
Molecular FormulaC18H16F3N
Molecular Weight303.33 g/mol
Exact Mass303.12
IUPAC Name5-methyl-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-4-(trifluoromethyl)pyridine
SMILESCc1cnc(-c2ccc3c(c2)C2CCC3C2)cc1C(F)(F)F
InChIInChI=1S/C18H16F3N/c1-10-9-22-17(8-16(10)18(19,20)21)13-4-5-14-11-2-3-12(6-11)15(14)7-13/h4-5,7-9,11-12H,2-3,6H2,1H3
InChIKeySWPJOCDYFIGBPB-UHFFFAOYSA-N
XLogP5.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.33
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-methyl-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-4-(trifluoromethyl)pyridine 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 5-methyl-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 5-methyl-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-4-(trifluoromethyl)pyridine (CID 118857285) is 5-methyl-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-methyl-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 5-methyl-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-4-(trifluoromethyl)pyridine is Cc1cnc(-c2ccc3c(c2)C2CCC3C2)cc1C(F)(F)F.
What is the InChIKey of 5-methyl-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-4-(trifluoromethyl)pyridine?
The InChIKey is SWPJOCDYFIGBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N/c1-10-9-22-17(8-16(10)18(19,20)21)13-4-5-14-11-2-3-12(6-11)15(14)7-13/h4-5,7-9,11-12H,2-3,6H2,1H3.
What are the key properties of 5-methyl-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-4-(trifluoromethyl)pyridine?
5-methyl-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-4-(trifluoromethyl)pyridine has a molecular weight of 303.33 g/mol, XLogP of 5.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 118857285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).