N-[4-(difluoromethylsulfanyl)phenyl]-2,3-difluoropyridine-4-carboxamide

C13H8F4N2OS — CID 105380582

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2,3-difluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)c1ccnc(F)c1F
InChIInChI=1S/C13H8F4N2OS/c14-10-9(5-6-18-11(10)15)12(20)19-7-1-3-8(4-2-7)21-13(16)17/h1-6,13H,(H,19,20)
InChIKeyWXCKFMTZZSLBRP-UHFFFAOYSA-N
MW316.28 g/mol
LogP3.93
Rot. Bonds4

About N-[4-(difluoromethylsulfanyl)phenyl]-2,3-difluoropyridine-4-carboxamide

N-[4-(difluoromethylsulfanyl)phenyl]-2,3-difluoropyridine-4-carboxamide (PubChem CID 105380582) has the molecular formula C13H8F4N2OS and a molecular weight of 316.28 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2,3-difluoropyridine-4-carboxamide
PubChem CID105380582
Molecular FormulaC13H8F4N2OS
Molecular Weight316.28 g/mol
Exact Mass316.03
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2,3-difluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)c1ccnc(F)c1F
InChIInChI=1S/C13H8F4N2OS/c14-10-9(5-6-18-11(10)15)12(20)19-7-1-3-8(4-2-7)21-13(16)17/h1-6,13H,(H,19,20)
InChIKeyWXCKFMTZZSLBRP-UHFFFAOYSA-N
XLogP3.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 53.93
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

2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide
CID 105380183
N-[4-(carbamoylamino)phenyl]-2,3-difluoropyridine-4-carboxamide
CID 105380731
N-(4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380159
N-[4-(difluoromethoxy)phenyl]-2,3-difluoropyridine-4-carboxamide
CID 105380332
2,3-difluoro-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide
CID 105380278
2,5-dichloro-N-[4-(difluoromethylsulfanyl)phenyl]pyridine-4-carboxamide
CID 114917622
2,3-difluoro-N-quinoxalin-6-ylpyridine-4-carboxamide
CID 105380445
N-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105381393
5-amino-2-bromo-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
CID 115297076
N-(2,6-difluorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380320
2,3-difluoro-N-(thiadiazol-5-yl)pyridine-4-carboxamide
CID 105381676
N-[4-(difluoromethylsulfanyl)phenyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112773659

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2,3-difluoropyridine-4-carboxamide (CID 105380582) is N-[4-(difluoromethylsulfanyl)phenyl]-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2,3-difluoropyridine-4-carboxamide is O=C(Nc1ccc(SC(F)F)cc1)c1ccnc(F)c1F.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2,3-difluoropyridine-4-carboxamide?
The InChIKey is WXCKFMTZZSLBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4N2OS/c14-10-9(5-6-18-11(10)15)12(20)19-7-1-3-8(4-2-7)21-13(16)17/h1-6,13H,(H,19,20).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2,3-difluoropyridine-4-carboxamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2,3-difluoropyridine-4-carboxamide has a molecular weight of 316.28 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 105380582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).