4-methoxy-2-(methylsulfanylmethyl)pyridine

C8H11NOS — CID 56659406

IUPAC4-methoxy-2-(methylsulfanylmethyl)pyridine
SMILESCOc1ccnc(CSC)c1
InChIInChI=1S/C8H11NOS/c1-10-8-3-4-9-7(5-8)6-11-2/h3-5H,6H2,1-2H3
InChIKeyRNNQKEBHFREBQS-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.95
Rot. Bonds3

About 4-methoxy-2-(methylsulfanylmethyl)pyridine

4-methoxy-2-(methylsulfanylmethyl)pyridine (PubChem CID 56659406) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 4-methoxy-2-(methylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name4-methoxy-2-(methylsulfanylmethyl)pyridine
PubChem CID56659406
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name4-methoxy-2-(methylsulfanylmethyl)pyridine
SMILESCOc1ccnc(CSC)c1
InChIInChI=1S/C8H11NOS/c1-10-8-3-4-9-7(5-8)6-11-2/h3-5H,6H2,1-2H3
InChIKeyRNNQKEBHFREBQS-UHFFFAOYSA-N
XLogP1.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(methylsulfanylmethyl)pyridine?
The IUPAC name of 4-methoxy-2-(methylsulfanylmethyl)pyridine (CID 56659406) is 4-methoxy-2-(methylsulfanylmethyl)pyridine.
What is the SMILES notation for 4-methoxy-2-(methylsulfanylmethyl)pyridine?
The canonical SMILES for 4-methoxy-2-(methylsulfanylmethyl)pyridine is COc1ccnc(CSC)c1.
What is the InChIKey of 4-methoxy-2-(methylsulfanylmethyl)pyridine?
The InChIKey is RNNQKEBHFREBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-10-8-3-4-9-7(5-8)6-11-2/h3-5H,6H2,1-2H3.
What are the key properties of 4-methoxy-2-(methylsulfanylmethyl)pyridine?
4-methoxy-2-(methylsulfanylmethyl)pyridine has a molecular weight of 169.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(methylsulfanylmethyl)pyridine is sourced from PubChem (CID 56659406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).