3-methoxy-2-methylsulfanylpyridine

C7H9NOS — CID 11457809

IUPAC3-methoxy-2-methylsulfanylpyridine
SMILESCOc1cccnc1SC
InChIInChI=1S/C7H9NOS/c1-9-6-4-3-5-8-7(6)10-2/h3-5H,1-2H3
InChIKeyBBUOLKJMVSRQJP-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.81
Rot. Bonds2

About 3-methoxy-2-methylsulfanylpyridine

3-methoxy-2-methylsulfanylpyridine (PubChem CID 11457809) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 3-methoxy-2-methylsulfanylpyridine.

Molecular Properties

Compound Name3-methoxy-2-methylsulfanylpyridine
PubChem CID11457809
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name3-methoxy-2-methylsulfanylpyridine
SMILESCOc1cccnc1SC
InChIInChI=1S/C7H9NOS/c1-9-6-4-3-5-8-7(6)10-2/h3-5H,1-2H3
InChIKeyBBUOLKJMVSRQJP-UHFFFAOYSA-N
XLogP1.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methylsulfanylpyridine?
The IUPAC name of 3-methoxy-2-methylsulfanylpyridine (CID 11457809) is 3-methoxy-2-methylsulfanylpyridine.
What is the SMILES notation for 3-methoxy-2-methylsulfanylpyridine?
The canonical SMILES for 3-methoxy-2-methylsulfanylpyridine is COc1cccnc1SC.
What is the InChIKey of 3-methoxy-2-methylsulfanylpyridine?
The InChIKey is BBUOLKJMVSRQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-9-6-4-3-5-8-7(6)10-2/h3-5H,1-2H3.
What are the key properties of 3-methoxy-2-methylsulfanylpyridine?
3-methoxy-2-methylsulfanylpyridine has a molecular weight of 155.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methylsulfanylpyridine is sourced from PubChem (CID 11457809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).