2-chloro-5-methyl-4-(4-methylphenyl)sulfanylpyridine

C13H12ClNS — CID 83267819

IUPAC2-chloro-5-methyl-4-(4-methylphenyl)sulfanylpyridine
SMILESCc1ccc(Sc2cc(Cl)ncc2C)cc1
InChIInChI=1S/C13H12ClNS/c1-9-3-5-11(6-4-9)16-12-7-13(14)15-8-10(12)2/h3-8H,1-2H3
InChIKeyWQQCKYKXGRHMFL-UHFFFAOYSA-N
MW249.77 g/mol
LogP4.50
Rot. Bonds2

About 2-chloro-5-methyl-4-(4-methylphenyl)sulfanylpyridine

2-chloro-5-methyl-4-(4-methylphenyl)sulfanylpyridine (PubChem CID 83267819) has the molecular formula C13H12ClNS and a molecular weight of 249.77 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-(4-methylphenyl)sulfanylpyridine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-(4-methylphenyl)sulfanylpyridine
PubChem CID83267819
Molecular FormulaC13H12ClNS
Molecular Weight249.77 g/mol
Exact Mass249.04
IUPAC Name2-chloro-5-methyl-4-(4-methylphenyl)sulfanylpyridine
SMILESCc1ccc(Sc2cc(Cl)ncc2C)cc1
InChIInChI=1S/C13H12ClNS/c1-9-3-5-11(6-4-9)16-12-7-13(14)15-8-10(12)2/h3-8H,1-2H3
InChIKeyWQQCKYKXGRHMFL-UHFFFAOYSA-N
XLogP4.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.77
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-methylpyridine
CID 83269545
2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-5-methyl-1,3,4-oxadiazole
CID 83267619
2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-1,3-thiazole
CID 83266672
2-chloro-4,5-dimethylpyridine;ethane
CID 144586230
2-chloro-5-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine
CID 83268833
2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene
CID 15456660
5-chloro-3-fluoro-2-(4-methylphenyl)sulfanylpyridine
CID 79733940
3-bromo-5-chloro-2-(4-methylphenyl)sulfanylpyridine
CID 114837889
1-(4-chlorophenyl)sulfanyl-2,4,5-trimethylbenzene
CID 22947184
5-(4-bromophenyl)sulfanyl-2-chloropyridin-4-amine
CID 87286110
2-chloro-6-(4-methylphenyl)sulfanylpyrazine
CID 43213384
ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 123790982

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-(4-methylphenyl)sulfanylpyridine?
The IUPAC name of 2-chloro-5-methyl-4-(4-methylphenyl)sulfanylpyridine (CID 83267819) is 2-chloro-5-methyl-4-(4-methylphenyl)sulfanylpyridine.
What is the SMILES notation for 2-chloro-5-methyl-4-(4-methylphenyl)sulfanylpyridine?
The canonical SMILES for 2-chloro-5-methyl-4-(4-methylphenyl)sulfanylpyridine is Cc1ccc(Sc2cc(Cl)ncc2C)cc1.
What is the InChIKey of 2-chloro-5-methyl-4-(4-methylphenyl)sulfanylpyridine?
The InChIKey is WQQCKYKXGRHMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNS/c1-9-3-5-11(6-4-9)16-12-7-13(14)15-8-10(12)2/h3-8H,1-2H3.
What are the key properties of 2-chloro-5-methyl-4-(4-methylphenyl)sulfanylpyridine?
2-chloro-5-methyl-4-(4-methylphenyl)sulfanylpyridine has a molecular weight of 249.77 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-(4-methylphenyl)sulfanylpyridine is sourced from PubChem (CID 83267819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).