5-methyl-2-[6-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]pyridine

C14H12F3N — CID 134389528

IUPAC5-methyl-2-[6-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]pyridine
SMILESCc1ccc(C2=CCC=CC(C(F)(F)F)=C2)nc1
InChIInChI=1S/C14H12F3N/c1-10-6-7-13(18-9-10)11-4-2-3-5-12(8-11)14(15,16)17/h3-9H,2H2,1H3
InChIKeyDKLNFFBZGWBFJW-UHFFFAOYSA-N
MW251.25 g/mol
LogP4.22
Rot. Bonds1

About 5-methyl-2-[6-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]pyridine

5-methyl-2-[6-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]pyridine (PubChem CID 134389528) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is 5-methyl-2-[6-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]pyridine.

Molecular Properties

Compound Name5-methyl-2-[6-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]pyridine
PubChem CID134389528
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC Name5-methyl-2-[6-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]pyridine
SMILESCc1ccc(C2=CCC=CC(C(F)(F)F)=C2)nc1
InChIInChI=1S/C14H12F3N/c1-10-6-7-13(18-9-10)11-4-2-3-5-12(8-11)14(15,16)17/h3-9H,2H2,1H3
InChIKeyDKLNFFBZGWBFJW-UHFFFAOYSA-N
XLogP4.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-methyl-2-[6-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]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-[6-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]pyridine?
The IUPAC name of 5-methyl-2-[6-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]pyridine (CID 134389528) is 5-methyl-2-[6-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]pyridine.
What is the SMILES notation for 5-methyl-2-[6-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]pyridine?
The canonical SMILES for 5-methyl-2-[6-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]pyridine is Cc1ccc(C2=CCC=CC(C(F)(F)F)=C2)nc1.
What is the InChIKey of 5-methyl-2-[6-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]pyridine?
The InChIKey is DKLNFFBZGWBFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c1-10-6-7-13(18-9-10)11-4-2-3-5-12(8-11)14(15,16)17/h3-9H,2H2,1H3.
What are the key properties of 5-methyl-2-[6-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]pyridine?
5-methyl-2-[6-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]pyridine has a molecular weight of 251.25 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[6-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]pyridine is sourced from PubChem (CID 134389528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).