5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide

C13H9BrF2N2OS — CID 62954887

IUPAC5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1SC(F)F)c1ccc(Br)cn1
InChIInChI=1S/C13H9BrF2N2OS/c14-8-5-6-10(17-7-8)12(19)18-9-3-1-2-4-11(9)20-13(15)16/h1-7,13H,(H,18,19)
InChIKeyKRNJNVIQNINZSE-UHFFFAOYSA-N
MW359.20 g/mol
LogP4.41
Rot. Bonds4

About 5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide

5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide (PubChem CID 62954887) has the molecular formula C13H9BrF2N2OS and a molecular weight of 359.20 g/mol. Its IUPAC name is 5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
PubChem CID62954887
Molecular FormulaC13H9BrF2N2OS
Molecular Weight359.20 g/mol
Exact Mass357.96
IUPAC Name5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1SC(F)F)c1ccc(Br)cn1
InChIInChI=1S/C13H9BrF2N2OS/c14-8-5-6-10(17-7-8)12(19)18-9-3-1-2-4-11(9)20-13(15)16/h1-7,13H,(H,18,19)
InChIKeyKRNJNVIQNINZSE-UHFFFAOYSA-N
XLogP4.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.20
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 81318925
6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
CID 66464448
5-bromo-N-(2-chlorophenyl)pyridine-2-carboxamide
CID 62953356
5-bromo-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide
CID 113340903
5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]furan-2-carboxamide
CID 17393458
N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47321455
5-bromo-N-[2-(2-methylpropoxy)phenyl]pyridine-2-carboxamide
CID 62952857
4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-3-hydroxybenzamide
CID 103956331
2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 63678703
N-[2-(difluoromethylsulfanyl)phenyl]-3,5-difluorobenzamide
CID 26180912
5-bromo-N-pyrimidin-2-ylpyridine-2-carboxamide
CID 62952846
N-[2-(difluoromethylsulfanyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 36670976

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide (CID 62954887) is 5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccccc1SC(F)F)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide?
The InChIKey is KRNJNVIQNINZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2OS/c14-8-5-6-10(17-7-8)12(19)18-9-3-1-2-4-11(9)20-13(15)16/h1-7,13H,(H,18,19).
What are the key properties of 5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide?
5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide has a molecular weight of 359.20 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 62954887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).