2-(4-bromophenyl)sulfanylpyridine;hydrochloride

C11H9BrClNS — CID 13058733

IUPAC2-(4-bromophenyl)sulfanylpyridine;hydrochloride
SMILESBrc1ccc(Sc2ccccn2)cc1.Cl
InChIInChI=1S/C11H8BrNS.ClH/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11;/h1-8H;1H
InChIKeyAKMHUBTZSSSMJL-UHFFFAOYSA-N
MW302.62 g/mol
LogP4.42
Rot. Bonds2

About 2-(4-bromophenyl)sulfanylpyridine;hydrochloride

2-(4-bromophenyl)sulfanylpyridine;hydrochloride (PubChem CID 13058733) has the molecular formula C11H9BrClNS and a molecular weight of 302.62 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanylpyridine;hydrochloride.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanylpyridine;hydrochloride
PubChem CID13058733
Molecular FormulaC11H9BrClNS
Molecular Weight302.62 g/mol
Exact Mass300.93
IUPAC Name2-(4-bromophenyl)sulfanylpyridine;hydrochloride
SMILESBrc1ccc(Sc2ccccn2)cc1.Cl
InChIInChI=1S/C11H8BrNS.ClH/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11;/h1-8H;1H
InChIKeyAKMHUBTZSSSMJL-UHFFFAOYSA-N
XLogP4.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.62
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanylpyridine;hydrochloride?
The IUPAC name of 2-(4-bromophenyl)sulfanylpyridine;hydrochloride (CID 13058733) is 2-(4-bromophenyl)sulfanylpyridine;hydrochloride.
What is the SMILES notation for 2-(4-bromophenyl)sulfanylpyridine;hydrochloride?
The canonical SMILES for 2-(4-bromophenyl)sulfanylpyridine;hydrochloride is Brc1ccc(Sc2ccccn2)cc1.Cl.
What is the InChIKey of 2-(4-bromophenyl)sulfanylpyridine;hydrochloride?
The InChIKey is AKMHUBTZSSSMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNS.ClH/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11;/h1-8H;1H.
What are the key properties of 2-(4-bromophenyl)sulfanylpyridine;hydrochloride?
2-(4-bromophenyl)sulfanylpyridine;hydrochloride has a molecular weight of 302.62 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanylpyridine;hydrochloride is sourced from PubChem (CID 13058733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).