2-(4-chlorophenyl)-3-methylsulfanylpyridine;hydrochloride

C12H11Cl2NS — CID 19850804

IUPAC2-(4-chlorophenyl)-3-methylsulfanylpyridine;hydrochloride
SMILESCSc1cccnc1-c1ccc(Cl)cc1.Cl
InChIInChI=1S/C12H10ClNS.ClH/c1-15-11-3-2-8-14-12(11)9-4-6-10(13)7-5-9;/h2-8H,1H3;1H
InChIKeyATAJFVYXYWIJDZ-UHFFFAOYSA-N
MW272.20 g/mol
LogP4.55
Rot. Bonds2

About 2-(4-chlorophenyl)-3-methylsulfanylpyridine;hydrochloride

2-(4-chlorophenyl)-3-methylsulfanylpyridine;hydrochloride (PubChem CID 19850804) has the molecular formula C12H11Cl2NS and a molecular weight of 272.20 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-methylsulfanylpyridine;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-methylsulfanylpyridine;hydrochloride
PubChem CID19850804
Molecular FormulaC12H11Cl2NS
Molecular Weight272.20 g/mol
Exact Mass271.00
IUPAC Name2-(4-chlorophenyl)-3-methylsulfanylpyridine;hydrochloride
SMILESCSc1cccnc1-c1ccc(Cl)cc1.Cl
InChIInChI=1S/C12H10ClNS.ClH/c1-15-11-3-2-8-14-12(11)9-4-6-10(13)7-5-9;/h2-8H,1H3;1H
InChIKeyATAJFVYXYWIJDZ-UHFFFAOYSA-N
XLogP4.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-methylsulfanylpyridine;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-3-methylsulfanylpyridine;hydrochloride (CID 19850804) is 2-(4-chlorophenyl)-3-methylsulfanylpyridine;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-3-methylsulfanylpyridine;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-3-methylsulfanylpyridine;hydrochloride is CSc1cccnc1-c1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-3-methylsulfanylpyridine;hydrochloride?
The InChIKey is ATAJFVYXYWIJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNS.ClH/c1-15-11-3-2-8-14-12(11)9-4-6-10(13)7-5-9;/h2-8H,1H3;1H.
What are the key properties of 2-(4-chlorophenyl)-3-methylsulfanylpyridine;hydrochloride?
2-(4-chlorophenyl)-3-methylsulfanylpyridine;hydrochloride has a molecular weight of 272.20 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-methylsulfanylpyridine;hydrochloride is sourced from PubChem (CID 19850804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).