5-bromo-2-phenylsulfanylpyridine

C11H8BrNS — CID 22180667

IUPAC5-bromo-2-phenylsulfanylpyridine
SMILESBrc1ccc(Sc2ccccc2)nc1
InChIInChI=1S/C11H8BrNS/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H
InChIKeyYTXIOQKCKQRXRZ-UHFFFAOYSA-N
MW266.16 g/mol
LogP4.00
Rot. Bonds2

About 5-bromo-2-phenylsulfanylpyridine

5-bromo-2-phenylsulfanylpyridine (PubChem CID 22180667) has the molecular formula C11H8BrNS and a molecular weight of 266.16 g/mol. Its IUPAC name is 5-bromo-2-phenylsulfanylpyridine.

Molecular Properties

Compound Name5-bromo-2-phenylsulfanylpyridine
PubChem CID22180667
Molecular FormulaC11H8BrNS
Molecular Weight266.16 g/mol
Exact Mass264.96
IUPAC Name5-bromo-2-phenylsulfanylpyridine
SMILESBrc1ccc(Sc2ccccc2)nc1
InChIInChI=1S/C11H8BrNS/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H
InChIKeyYTXIOQKCKQRXRZ-UHFFFAOYSA-N
XLogP4.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.16
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-phenylsulfanylpyridine?
The IUPAC name of 5-bromo-2-phenylsulfanylpyridine (CID 22180667) is 5-bromo-2-phenylsulfanylpyridine.
What is the SMILES notation for 5-bromo-2-phenylsulfanylpyridine?
The canonical SMILES for 5-bromo-2-phenylsulfanylpyridine is Brc1ccc(Sc2ccccc2)nc1.
What is the InChIKey of 5-bromo-2-phenylsulfanylpyridine?
The InChIKey is YTXIOQKCKQRXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNS/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H.
What are the key properties of 5-bromo-2-phenylsulfanylpyridine?
5-bromo-2-phenylsulfanylpyridine has a molecular weight of 266.16 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-phenylsulfanylpyridine is sourced from PubChem (CID 22180667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).