2-(3,3,3-Trifluoro-propylsulfanyl)-nicotinic acid

HCID 62033693
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Basic information

Standard SMILES
O=C(O)c1cccnc1SCCC(F)(F)F
InChIKey
VFWGQJKKAMCJDV-UHFFFAOYSA-N
Molecular formula
C9H8F3NO2S
Average molar mass
251.23 g/mol

Names & identifiers

Preferred name
2-(3,3,3-Trifluoro-propylsulfanyl)-nicotinic acid
IUPAC
2-(3,3,3-trifluoropropylsulfanyl)pyridine-3-carboxylic acid

Names & synonyms

2-(3,3,3-trifluoro-propylsulfanyl)-nicotinic acidSCHEMBL15669413AKOS011310055

Database identifiers

PubChem CID
62033693

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
75.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
16

Related reactions

1 records
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Compound notes

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