N-(4-chloro-2-fluorophenyl)-2-(difluoromethylsulfanyl)pyridine-3-carboxamide

C13H8ClF3N2OS — CID 78804077

IUPACN-(4-chloro-2-fluorophenyl)-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1cccnc1SC(F)F
InChIInChI=1S/C13H8ClF3N2OS/c14-7-3-4-10(9(15)6-7)19-11(20)8-2-1-5-18-12(8)21-13(16)17/h1-6,13H,(H,19,20)
InChIKeyRHMCJXVGBHKYKO-UHFFFAOYSA-N
MW332.73 g/mol
LogP4.44
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-2-(difluoromethylsulfanyl)pyridine-3-carboxamide

N-(4-chloro-2-fluorophenyl)-2-(difluoromethylsulfanyl)pyridine-3-carboxamide (PubChem CID 78804077) has the molecular formula C13H8ClF3N2OS and a molecular weight of 332.73 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-(difluoromethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
PubChem CID78804077
Molecular FormulaC13H8ClF3N2OS
Molecular Weight332.73 g/mol
Exact Mass332.00
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1cccnc1SC(F)F
InChIInChI=1S/C13H8ClF3N2OS/c14-7-3-4-10(9(15)6-7)19-11(20)8-2-1-5-18-12(8)21-13(16)17/h1-6,13H,(H,19,20)
InChIKeyRHMCJXVGBHKYKO-UHFFFAOYSA-N
XLogP4.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.73
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide
CID 107362716
N-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 9097470
2-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 103751818
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 24673103
N-(4-chloro-2-fluorophenyl)-2-(trifluoromethylsulfanyl)benzamide
CID 47026174
N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(difluoromethylsulfanyl)pyridine-3-carbohydrazide
CID 24538204
2-amino-N-(5-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 62154779
2-(difluoromethylsulfanyl)-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide
CID 134013198
2-amino-N-(4-chloro-2-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105385883
2-(difluoromethylsulfanyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18128699
N-(3-chlorophenyl)-2-(1-pyridin-4-ylethylsulfanyl)pyridine-3-carboxamide
CID 23093892
2-(difluoromethylsulfanyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]pyridine-3-carboxamide
CID 55947441

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(difluoromethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(difluoromethylsulfanyl)pyridine-3-carboxamide (CID 78804077) is N-(4-chloro-2-fluorophenyl)-2-(difluoromethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-(difluoromethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-(difluoromethylsulfanyl)pyridine-3-carboxamide is O=C(Nc1ccc(Cl)cc1F)c1cccnc1SC(F)F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-(difluoromethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is RHMCJXVGBHKYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2OS/c14-7-3-4-10(9(15)6-7)19-11(20)8-2-1-5-18-12(8)21-13(16)17/h1-6,13H,(H,19,20).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-(difluoromethylsulfanyl)pyridine-3-carboxamide?
N-(4-chloro-2-fluorophenyl)-2-(difluoromethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 332.73 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-(difluoromethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 78804077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).