6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide

C13H9BrF2N2OS — CID 66464448

IUPAC6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1SC(F)F)c1ccc(Br)nc1
InChIInChI=1S/C13H9BrF2N2OS/c14-11-6-5-8(7-17-11)12(19)18-9-3-1-2-4-10(9)20-13(15)16/h1-7,13H,(H,18,19)
InChIKeyOPRSWXWYVAKIAL-UHFFFAOYSA-N
MW359.20 g/mol
LogP4.41
Rot. Bonds4

About 6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide

6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide (PubChem CID 66464448) has the molecular formula C13H9BrF2N2OS and a molecular weight of 359.20 g/mol. Its IUPAC name is 6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
PubChem CID66464448
Molecular FormulaC13H9BrF2N2OS
Molecular Weight359.20 g/mol
Exact Mass357.96
IUPAC Name6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1SC(F)F)c1ccc(Br)nc1
InChIInChI=1S/C13H9BrF2N2OS/c14-11-6-5-8(7-17-11)12(19)18-9-3-1-2-4-10(9)20-13(15)16/h1-7,13H,(H,18,19)
InChIKeyOPRSWXWYVAKIAL-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

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide
CID 66465043
5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 62954887
4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-3-hydroxybenzamide
CID 103956331
N-(2-anilinophenyl)-6-bromopyridine-3-carboxamide
CID 89461171
N-[2-(difluoromethylsulfanyl)phenyl]-3,5-difluorobenzamide
CID 26180912
6-bromo-N-[2-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 66462709
6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 66463109
N-[2-(difluoromethylsulfanyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 36670976
5-amino-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 81318925
N-[2-(difluoromethylsulfanyl)phenyl]-4-hydroxy-3-methylbenzamide
CID 103956330
5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]furan-2-carboxamide
CID 17393458
6-bromo-N-[2-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 66464873

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide (CID 66464448) is 6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1SC(F)F)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide?
The InChIKey is OPRSWXWYVAKIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2OS/c14-11-6-5-8(7-17-11)12(19)18-9-3-1-2-4-10(9)20-13(15)16/h1-7,13H,(H,18,19).
What are the key properties of 6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide?
6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-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 6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 66464448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).