6-[(3-chloro-4-methylsulfanylphenyl)methyl]-2-methoxy-3-methylpyridine

C15H16ClNOS — CID 58452473

IUPAC6-[(3-chloro-4-methylsulfanylphenyl)methyl]-2-methoxy-3-methylpyridine
SMILESCOc1nc(Cc2ccc(SC)c(Cl)c2)ccc1C
InChIInChI=1S/C15H16ClNOS/c1-10-4-6-12(17-15(10)18-2)8-11-5-7-14(19-3)13(16)9-11/h4-7,9H,8H2,1-3H3
InChIKeyJJDMSLUOECHSOE-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.36
Rot. Bonds4

About 6-[(3-chloro-4-methylsulfanylphenyl)methyl]-2-methoxy-3-methylpyridine

6-[(3-chloro-4-methylsulfanylphenyl)methyl]-2-methoxy-3-methylpyridine (PubChem CID 58452473) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is 6-[(3-chloro-4-methylsulfanylphenyl)methyl]-2-methoxy-3-methylpyridine.

Molecular Properties

Compound Name6-[(3-chloro-4-methylsulfanylphenyl)methyl]-2-methoxy-3-methylpyridine
PubChem CID58452473
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name6-[(3-chloro-4-methylsulfanylphenyl)methyl]-2-methoxy-3-methylpyridine
SMILESCOc1nc(Cc2ccc(SC)c(Cl)c2)ccc1C
InChIInChI=1S/C15H16ClNOS/c1-10-4-6-12(17-15(10)18-2)8-11-5-7-14(19-3)13(16)9-11/h4-7,9H,8H2,1-3H3
InChIKeyJJDMSLUOECHSOE-UHFFFAOYSA-N
XLogP4.36
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-4-methylsulfanylphenyl)methyl]-2-methoxy-3-methylpyridine?
The IUPAC name of 6-[(3-chloro-4-methylsulfanylphenyl)methyl]-2-methoxy-3-methylpyridine (CID 58452473) is 6-[(3-chloro-4-methylsulfanylphenyl)methyl]-2-methoxy-3-methylpyridine.
What is the SMILES notation for 6-[(3-chloro-4-methylsulfanylphenyl)methyl]-2-methoxy-3-methylpyridine?
The canonical SMILES for 6-[(3-chloro-4-methylsulfanylphenyl)methyl]-2-methoxy-3-methylpyridine is COc1nc(Cc2ccc(SC)c(Cl)c2)ccc1C.
What is the InChIKey of 6-[(3-chloro-4-methylsulfanylphenyl)methyl]-2-methoxy-3-methylpyridine?
The InChIKey is JJDMSLUOECHSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c1-10-4-6-12(17-15(10)18-2)8-11-5-7-14(19-3)13(16)9-11/h4-7,9H,8H2,1-3H3.
What are the key properties of 6-[(3-chloro-4-methylsulfanylphenyl)methyl]-2-methoxy-3-methylpyridine?
6-[(3-chloro-4-methylsulfanylphenyl)methyl]-2-methoxy-3-methylpyridine has a molecular weight of 293.82 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chloro-4-methylsulfanylphenyl)methyl]-2-methoxy-3-methylpyridine is sourced from PubChem (CID 58452473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).