2-chloro-6-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine

C14H14ClNS — CID 79040235

IUPAC2-chloro-6-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine
SMILESCc1ccc(C)c(SCc2cccc(Cl)n2)c1
InChIInChI=1S/C14H14ClNS/c1-10-6-7-11(2)13(8-10)17-9-12-4-3-5-14(15)16-12/h3-8H,9H2,1-2H3
InChIKeyAUDVKEUBXQBVKG-UHFFFAOYSA-N
MW263.79 g/mol
LogP4.64
Rot. Bonds3

About 2-chloro-6-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine

2-chloro-6-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine (PubChem CID 79040235) has the molecular formula C14H14ClNS and a molecular weight of 263.79 g/mol. Its IUPAC name is 2-chloro-6-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name2-chloro-6-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine
PubChem CID79040235
Molecular FormulaC14H14ClNS
Molecular Weight263.79 g/mol
Exact Mass263.05
IUPAC Name2-chloro-6-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine
SMILESCc1ccc(C)c(SCc2cccc(Cl)n2)c1
InChIInChI=1S/C14H14ClNS/c1-10-6-7-11(2)13(8-10)17-9-12-4-3-5-14(15)16-12/h3-8H,9H2,1-2H3
InChIKeyAUDVKEUBXQBVKG-UHFFFAOYSA-N
XLogP4.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 54.64
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

6-[(2,5-dimethylphenyl)sulfanylmethyl]-N-ethylpyridin-2-amine
CID 79239392
2-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine
CID 52562461
2-[(6-chloro-2-pyridinyl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 79037541
2-chloro-3-[(2,5-dimethylphenyl)sulfanylmethyl]quinoline
CID 60652277
1-[(6-chloro-2-pyridinyl)methylsulfanyl]propan-2-amine
CID 79240487
2-chloro-5-[(2,4-dimethylphenyl)sulfanylmethyl]pyrazine
CID 103055013
2-[(2-bromophenyl)methylsulfanyl]-1,4-dimethylbenzene
CID 60626405
4-chloro-2-[(2,5-dimethylphenyl)sulfanylmethyl]aniline
CID 79583400
3-[(2,5-dimethylphenyl)sulfanylmethyl]benzonitrile
CID 28548098
2-chloro-6-[(4-methylsulfonylphenyl)sulfanylmethyl]pyridine
CID 79040430
2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine
CID 104588089
4-chloro-6-ethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidine
CID 66094645

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine?
The IUPAC name of 2-chloro-6-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine (CID 79040235) is 2-chloro-6-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine.
What is the SMILES notation for 2-chloro-6-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine?
The canonical SMILES for 2-chloro-6-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine is Cc1ccc(C)c(SCc2cccc(Cl)n2)c1.
What is the InChIKey of 2-chloro-6-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine?
The InChIKey is AUDVKEUBXQBVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNS/c1-10-6-7-11(2)13(8-10)17-9-12-4-3-5-14(15)16-12/h3-8H,9H2,1-2H3.
What are the key properties of 2-chloro-6-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine?
2-chloro-6-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine has a molecular weight of 263.79 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine is sourced from PubChem (CID 79040235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).