5-(cyclopentylidenemethyl)-2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid

C18H20F5NO2 — CID 19813983

IUPAC5-(cyclopentylidenemethyl)-2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCC(C)Cc1c(C=C2CCCC2)c(C(F)(F)F)nc(C(F)F)c1C(=O)O
InChIInChI=1S/C18H20F5NO2/c1-9(2)7-11-12(8-10-5-3-4-6-10)15(18(21,22)23)24-14(16(19)20)13(11)17(25)26/h8-9,16H,3-7H2,1-2H3,(H,25,26)
InChIKeyDMSOTVJYVIOFLW-UHFFFAOYSA-N
MW377.35 g/mol
LogP5.89
Rot. Bonds5

About 5-(cyclopentylidenemethyl)-2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid

5-(cyclopentylidenemethyl)-2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 19813983) has the molecular formula C18H20F5NO2 and a molecular weight of 377.35 g/mol. Its IUPAC name is 5-(cyclopentylidenemethyl)-2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopentylidenemethyl)-2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID19813983
Molecular FormulaC18H20F5NO2
Molecular Weight377.35 g/mol
Exact Mass377.14
IUPAC Name5-(cyclopentylidenemethyl)-2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCC(C)Cc1c(C=C2CCCC2)c(C(F)(F)F)nc(C(F)F)c1C(=O)O
InChIInChI=1S/C18H20F5NO2/c1-9(2)7-11-12(8-10-5-3-4-6-10)15(18(21,22)23)24-14(16(19)20)13(11)17(25)26/h8-9,16H,3-7H2,1-2H3,(H,25,26)
InChIKeyDMSOTVJYVIOFLW-UHFFFAOYSA-N
XLogP5.89
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.35
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(cyclopentylidenemethyl)-2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid 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-(cyclopentylidenemethyl)-2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(cyclopentylidenemethyl)-2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 19813983) is 5-(cyclopentylidenemethyl)-2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(cyclopentylidenemethyl)-2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(cyclopentylidenemethyl)-2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid is CC(C)Cc1c(C=C2CCCC2)c(C(F)(F)F)nc(C(F)F)c1C(=O)O.
What is the InChIKey of 5-(cyclopentylidenemethyl)-2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is DMSOTVJYVIOFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F5NO2/c1-9(2)7-11-12(8-10-5-3-4-6-10)15(18(21,22)23)24-14(16(19)20)13(11)17(25)26/h8-9,16H,3-7H2,1-2H3,(H,25,26).
What are the key properties of 5-(cyclopentylidenemethyl)-2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
5-(cyclopentylidenemethyl)-2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 377.35 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylidenemethyl)-2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 19813983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).