3-cyclopropyl-4-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine

C13H14F3N — CID 146617411

IUPAC3-cyclopropyl-4-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESCc1c2c(nc(C(F)(F)F)c1C1CC1)CCC2
InChIInChI=1S/C13H14F3N/c1-7-9-3-2-4-10(9)17-12(13(14,15)16)11(7)8-5-6-8/h8H,2-6H2,1H3
InChIKeySQJSQOCRQLTQNH-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.77
Rot. Bonds1

About 3-cyclopropyl-4-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine

3-cyclopropyl-4-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 146617411) has the molecular formula C13H14F3N and a molecular weight of 241.26 g/mol. Its IUPAC name is 3-cyclopropyl-4-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-4-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID146617411
Molecular FormulaC13H14F3N
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name3-cyclopropyl-4-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESCc1c2c(nc(C(F)(F)F)c1C1CC1)CCC2
InChIInChI=1S/C13H14F3N/c1-7-9-3-2-4-10(9)17-12(13(14,15)16)11(7)8-5-6-8/h8H,2-6H2,1H3
InChIKeySQJSQOCRQLTQNH-UHFFFAOYSA-N
XLogP3.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-cyclopropyl-4-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]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 3-cyclopropyl-4-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 3-cyclopropyl-4-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 146617411) is 3-cyclopropyl-4-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 3-cyclopropyl-4-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 3-cyclopropyl-4-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine is Cc1c2c(nc(C(F)(F)F)c1C1CC1)CCC2.
What is the InChIKey of 3-cyclopropyl-4-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is SQJSQOCRQLTQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N/c1-7-9-3-2-4-10(9)17-12(13(14,15)16)11(7)8-5-6-8/h8H,2-6H2,1H3.
What are the key properties of 3-cyclopropyl-4-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
3-cyclopropyl-4-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 241.26 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 146617411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).