2,6-dibromo-3,5-difluoro-4-phenylsulfanylpyridine

C11H5Br2F2NS — CID 10547848

IUPAC2,6-dibromo-3,5-difluoro-4-phenylsulfanylpyridine
SMILESFc1c(Br)nc(Br)c(F)c1Sc1ccccc1
InChIInChI=1S/C11H5Br2F2NS/c12-10-7(14)9(8(15)11(13)16-10)17-6-4-2-1-3-5-6/h1-5H
InChIKeyUJPMRJQEPCLQDG-UHFFFAOYSA-N
MW381.04 g/mol
LogP5.04
Rot. Bonds2

About 2,6-dibromo-3,5-difluoro-4-phenylsulfanylpyridine

2,6-dibromo-3,5-difluoro-4-phenylsulfanylpyridine (PubChem CID 10547848) has the molecular formula C11H5Br2F2NS and a molecular weight of 381.04 g/mol. Its IUPAC name is 2,6-dibromo-3,5-difluoro-4-phenylsulfanylpyridine.

Molecular Properties

Compound Name2,6-dibromo-3,5-difluoro-4-phenylsulfanylpyridine
PubChem CID10547848
Molecular FormulaC11H5Br2F2NS
Molecular Weight381.04 g/mol
Exact Mass378.85
IUPAC Name2,6-dibromo-3,5-difluoro-4-phenylsulfanylpyridine
SMILESFc1c(Br)nc(Br)c(F)c1Sc1ccccc1
InChIInChI=1S/C11H5Br2F2NS/c12-10-7(14)9(8(15)11(13)16-10)17-6-4-2-1-3-5-6/h1-5H
InChIKeyUJPMRJQEPCLQDG-UHFFFAOYSA-N
XLogP5.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.04
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-3,5-difluoro-4-phenylsulfanylpyridine?
The IUPAC name of 2,6-dibromo-3,5-difluoro-4-phenylsulfanylpyridine (CID 10547848) is 2,6-dibromo-3,5-difluoro-4-phenylsulfanylpyridine.
What is the SMILES notation for 2,6-dibromo-3,5-difluoro-4-phenylsulfanylpyridine?
The canonical SMILES for 2,6-dibromo-3,5-difluoro-4-phenylsulfanylpyridine is Fc1c(Br)nc(Br)c(F)c1Sc1ccccc1.
What is the InChIKey of 2,6-dibromo-3,5-difluoro-4-phenylsulfanylpyridine?
The InChIKey is UJPMRJQEPCLQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2F2NS/c12-10-7(14)9(8(15)11(13)16-10)17-6-4-2-1-3-5-6/h1-5H.
What are the key properties of 2,6-dibromo-3,5-difluoro-4-phenylsulfanylpyridine?
2,6-dibromo-3,5-difluoro-4-phenylsulfanylpyridine has a molecular weight of 381.04 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-3,5-difluoro-4-phenylsulfanylpyridine is sourced from PubChem (CID 10547848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).