5-bromo-2-(3-chlorophenyl)sulfanylpyridine

C11H7BrClNS — CID 20689427

IUPAC5-bromo-2-(3-chlorophenyl)sulfanylpyridine
SMILESClc1cccc(Sc2ccc(Br)cn2)c1
InChIInChI=1S/C11H7BrClNS/c12-8-4-5-11(14-7-8)15-10-3-1-2-9(13)6-10/h1-7H
InChIKeyYVUSOVNXMIQCBI-UHFFFAOYSA-N
MW300.61 g/mol
LogP4.65
Rot. Bonds2

About 5-bromo-2-(3-chlorophenyl)sulfanylpyridine

5-bromo-2-(3-chlorophenyl)sulfanylpyridine (PubChem CID 20689427) has the molecular formula C11H7BrClNS and a molecular weight of 300.61 g/mol. Its IUPAC name is 5-bromo-2-(3-chlorophenyl)sulfanylpyridine.

Molecular Properties

Compound Name5-bromo-2-(3-chlorophenyl)sulfanylpyridine
PubChem CID20689427
Molecular FormulaC11H7BrClNS
Molecular Weight300.61 g/mol
Exact Mass298.92
IUPAC Name5-bromo-2-(3-chlorophenyl)sulfanylpyridine
SMILESClc1cccc(Sc2ccc(Br)cn2)c1
InChIInChI=1S/C11H7BrClNS/c12-8-4-5-11(14-7-8)15-10-3-1-2-9(13)6-10/h1-7H
InChIKeyYVUSOVNXMIQCBI-UHFFFAOYSA-N
XLogP4.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.61
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-chlorophenyl)sulfanylpyridine?
The IUPAC name of 5-bromo-2-(3-chlorophenyl)sulfanylpyridine (CID 20689427) is 5-bromo-2-(3-chlorophenyl)sulfanylpyridine.
What is the SMILES notation for 5-bromo-2-(3-chlorophenyl)sulfanylpyridine?
The canonical SMILES for 5-bromo-2-(3-chlorophenyl)sulfanylpyridine is Clc1cccc(Sc2ccc(Br)cn2)c1.
What is the InChIKey of 5-bromo-2-(3-chlorophenyl)sulfanylpyridine?
The InChIKey is YVUSOVNXMIQCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNS/c12-8-4-5-11(14-7-8)15-10-3-1-2-9(13)6-10/h1-7H.
What are the key properties of 5-bromo-2-(3-chlorophenyl)sulfanylpyridine?
5-bromo-2-(3-chlorophenyl)sulfanylpyridine has a molecular weight of 300.61 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-chlorophenyl)sulfanylpyridine is sourced from PubChem (CID 20689427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).