2-(4-chlorophenyl)-3-methylsulfanylpyridine

C12H10ClNS — CID 19850805

IUPAC2-(4-chlorophenyl)-3-methylsulfanylpyridine
SMILESCSc1cccnc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClNS/c1-15-11-3-2-8-14-12(11)9-4-6-10(13)7-5-9/h2-8H,1H3
InChIKeyWMBANXRKPQOJMN-UHFFFAOYSA-N
MW235.74 g/mol
LogP4.12
Rot. Bonds2

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

2-(4-chlorophenyl)-3-methylsulfanylpyridine (PubChem CID 19850805) has the molecular formula C12H10ClNS and a molecular weight of 235.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-methylsulfanylpyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-methylsulfanylpyridine
PubChem CID19850805
Molecular FormulaC12H10ClNS
Molecular Weight235.74 g/mol
Exact Mass235.02
IUPAC Name2-(4-chlorophenyl)-3-methylsulfanylpyridine
SMILESCSc1cccnc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClNS/c1-15-11-3-2-8-14-12(11)9-4-6-10(13)7-5-9/h2-8H,1H3
InChIKeyWMBANXRKPQOJMN-UHFFFAOYSA-N
XLogP4.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.74
LogP ≤ 54.12
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?
The IUPAC name of 2-(4-chlorophenyl)-3-methylsulfanylpyridine (CID 19850805) is 2-(4-chlorophenyl)-3-methylsulfanylpyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-methylsulfanylpyridine?
The canonical SMILES for 2-(4-chlorophenyl)-3-methylsulfanylpyridine is CSc1cccnc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-methylsulfanylpyridine?
The InChIKey is WMBANXRKPQOJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNS/c1-15-11-3-2-8-14-12(11)9-4-6-10(13)7-5-9/h2-8H,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-methylsulfanylpyridine?
2-(4-chlorophenyl)-3-methylsulfanylpyridine has a molecular weight of 235.74 g/mol, XLogP of 4.12, 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 is sourced from PubChem (CID 19850805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).