3-cyclopentyl-6-methyl-2-(trifluoromethyl)pyridine

C12H14F3N — CID 176999718

IUPAC3-cyclopentyl-6-methyl-2-(trifluoromethyl)pyridine
SMILESCc1ccc(C2CCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N/c1-8-6-7-10(9-4-2-3-5-9)11(16-8)12(13,14)15/h6-7,9H,2-5H2,1H3
InChIKeyGDTDGBLMNKBGRO-UHFFFAOYSA-N
MW229.24 g/mol
LogP4.07
Rot. Bonds1

About 3-cyclopentyl-6-methyl-2-(trifluoromethyl)pyridine

3-cyclopentyl-6-methyl-2-(trifluoromethyl)pyridine (PubChem CID 176999718) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-cyclopentyl-6-methyl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-cyclopentyl-6-methyl-2-(trifluoromethyl)pyridine
PubChem CID176999718
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name3-cyclopentyl-6-methyl-2-(trifluoromethyl)pyridine
SMILESCc1ccc(C2CCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N/c1-8-6-7-10(9-4-2-3-5-9)11(16-8)12(13,14)15/h6-7,9H,2-5H2,1H3
InChIKeyGDTDGBLMNKBGRO-UHFFFAOYSA-N
XLogP4.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-6-methyl-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-cyclopentyl-6-methyl-2-(trifluoromethyl)pyridine (CID 176999718) is 3-cyclopentyl-6-methyl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-cyclopentyl-6-methyl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-cyclopentyl-6-methyl-2-(trifluoromethyl)pyridine is Cc1ccc(C2CCCC2)c(C(F)(F)F)n1.
What is the InChIKey of 3-cyclopentyl-6-methyl-2-(trifluoromethyl)pyridine?
The InChIKey is GDTDGBLMNKBGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-8-6-7-10(9-4-2-3-5-9)11(16-8)12(13,14)15/h6-7,9H,2-5H2,1H3.
What are the key properties of 3-cyclopentyl-6-methyl-2-(trifluoromethyl)pyridine?
3-cyclopentyl-6-methyl-2-(trifluoromethyl)pyridine has a molecular weight of 229.24 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-6-methyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 176999718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).