3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine

C13H12ClNS — CID 47129961

IUPAC3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine
SMILESCc1ccccc1CSc1ncccc1Cl
InChIInChI=1S/C13H12ClNS/c1-10-5-2-3-6-11(10)9-16-13-12(14)7-4-8-15-13/h2-8H,9H2,1H3
InChIKeyCYOPFUVZBMVZKJ-UHFFFAOYSA-N
MW249.77 g/mol
LogP4.34
Rot. Bonds3

About 3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine

3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine (PubChem CID 47129961) has the molecular formula C13H12ClNS and a molecular weight of 249.77 g/mol. Its IUPAC name is 3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine.

Molecular Properties

Compound Name3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine
PubChem CID47129961
Molecular FormulaC13H12ClNS
Molecular Weight249.77 g/mol
Exact Mass249.04
IUPAC Name3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine
SMILESCc1ccccc1CSc1ncccc1Cl
InChIInChI=1S/C13H12ClNS/c1-10-5-2-3-6-11(10)9-16-13-12(14)7-4-8-15-13/h2-8H,9H2,1H3
InChIKeyCYOPFUVZBMVZKJ-UHFFFAOYSA-N
XLogP4.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.77
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine
CID 47152859
[3-chloro-2-[(2-methylphenyl)methylsulfanyl]-4-pyridinyl]methanamine
CID 107061189
4-[(3-chloro-2-pyridinyl)sulfanylmethyl]-3-methylbenzonitrile
CID 114484025
[3-[(3-chloro-2-pyridinyl)sulfanylmethyl]-2-fluorophenyl]methanamine
CID 107118927
4-[(3-chloro-2-pyridinyl)sulfanylmethyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114484111
3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine
CID 102761495
2-[(2-chlorophenyl)methylsulfanyl]-3-nitropyridine
CID 133273785
2-benzylsulfanyl-3-chloropyridine;formic acid
CID 174946739
3-chloro-2-(2-chloroethylsulfanyl)pyridine
CID 43446290
3,5-dichloro-N-ethyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine
CID 102761494
N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethyl]propan-1-amine
CID 64630676
2-chloro-6-[(2-methylphenyl)methylsulfanyl]benzaldehyde
CID 55240290

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine?
The IUPAC name of 3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine (CID 47129961) is 3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine.
What is the SMILES notation for 3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine?
The canonical SMILES for 3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine is Cc1ccccc1CSc1ncccc1Cl.
What is the InChIKey of 3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine?
The InChIKey is CYOPFUVZBMVZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNS/c1-10-5-2-3-6-11(10)9-16-13-12(14)7-4-8-15-13/h2-8H,9H2,1H3.
What are the key properties of 3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine?
3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine has a molecular weight of 249.77 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine is sourced from PubChem (CID 47129961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).