Methyl 2-(difluoromethyl)-4-isobutyl-5-mercapto-6-(trifluoromethyl)-3-pyridinecarboxylate

HCID 9974711

Basic information

Standard SMILES
COC(=O)c1c(C(F)F)nc(C(F)(F)F)c(S)c1CC(C)C
InChIKey
GTHIOFVWNIGYAA-UHFFFAOYSA-N
Molecular formula
C13H14F5NO2S
Average molar mass
343.31 g/mol

Names & identifiers

Preferred name
Methyl 2-(difluoromethyl)-4-isobutyl-5-mercapto-6-(trifluoromethyl)-3-pyridinecarboxylate
IUPAC
methyl 2-(difluoromethyl)-4-(2-methylpropyl)-5-sulfanyl-6-(trifluoromethyl)pyridine-3-carboxylate

Names & synonyms

methyl 2-(difluoromethyl)-4-isobutyl-5-mercapto-6-(trifluoromethyl)-3-pyridinecarboxylateSCHEMBL6730437methyl 2-(difluoro-methyl)-4-isobutyl-5-mercapto-6-(trifluoromethyl)-3-pyridinecarboxylateMethyl 2-(Difluoromethyl)-5-mercapto-4-(2-methylpropyl)-6-(trifluoromethyl)-3-pyridinecarboxylate

Database identifiers

PubChem CID
9974711

Properties

Computed structural properties

XLogP
4
Topological polar surface area
40.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
22

Related reactions

10 records

Compound notes

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