6-fluoro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide

C13H8F4N2OS — CID 115497260

IUPAC6-fluoro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(SC(F)(F)F)cc1)c1cccc(F)n1
InChIInChI=1S/C13H8F4N2OS/c14-11-3-1-2-10(19-11)12(20)18-8-4-6-9(7-5-8)21-13(15,16)17/h1-7H,(H,18,20)
InChIKeyVORKWGDNOZYQGA-UHFFFAOYSA-N
MW316.28 g/mol
LogP4.08
Rot. Bonds3

About 6-fluoro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide

6-fluoro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide (PubChem CID 115497260) has the molecular formula C13H8F4N2OS and a molecular weight of 316.28 g/mol. Its IUPAC name is 6-fluoro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
PubChem CID115497260
Molecular FormulaC13H8F4N2OS
Molecular Weight316.28 g/mol
Exact Mass316.03
IUPAC Name6-fluoro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(SC(F)(F)F)cc1)c1cccc(F)n1
InChIInChI=1S/C13H8F4N2OS/c14-11-3-1-2-10(19-11)12(20)18-8-4-6-9(7-5-8)21-13(15,16)17/h1-7H,(H,18,20)
InChIKeyVORKWGDNOZYQGA-UHFFFAOYSA-N
XLogP4.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide
CID 115496681
6-fluoro-N-[4-(propanoylamino)phenyl]pyridine-2-carboxamide
CID 115497261
6-fluoro-N-[4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 115497027
6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 115497606
6-fluoro-N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 115497288
N-(4-acetamido-3-methylphenyl)-6-fluoropyridine-2-carboxamide
CID 115497151
[4-(trifluoromethylsulfanyl)phenyl]carbamic acid
CID 146357026
6-fluoro-N-(4-propoxyphenyl)pyridine-2-carboxamide
CID 115497769
3-chloro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide
CID 66484493
3-bromo-5-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 115496522
N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-2-carboxamide
CID 113323580
5-chloro-4-fluoro-2-hydroxy-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide
CID 166523086

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide (CID 115497260) is 6-fluoro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(SC(F)(F)F)cc1)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide?
The InChIKey is VORKWGDNOZYQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4N2OS/c14-11-3-1-2-10(19-11)12(20)18-8-4-6-9(7-5-8)21-13(15,16)17/h1-7H,(H,18,20).
What are the key properties of 6-fluoro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide?
6-fluoro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide has a molecular weight of 316.28 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 115497260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).