3-{[3-(Trifluoromethyl)benzoyl]sulfanyl}pyridine-2-carboxylic acid

Base Information

• Chemical Name: 3-{[3-(Trifluoromethyl)benzoyl]sulfanyl}pyridine-2-carboxylic acid
• CAS No.: 62042-53-9
• Molecular Formula: C14H8F3NO3S
• ChEMBL ID: CHEMBL3246750
• DSSTox Substance ID: DTXSID30494175
• Wikidata: Q82341339

Synonyms:3-{[3-(Trifluoromethyl)benzoyl]sulfanyl}pyridine-2-carboxylic acid;62042-53-9;CHEMBL3246750;DTXSID30494175;SILSZUXOCFMOPI-UHFFFAOYSA-N

Chemical Property of 3-{[3-(Trifluoromethyl)benzoyl]sulfanyl}pyridine-2-carboxylic acid

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 327.01769878
• Heavy Atom Count: 22
• Complexity: 430

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(=O)SC2=C(N=CC=C2)C(=O)O

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