3-methoxy-5-propylsulfanylpyridine

C9H13NOS — CID 138973558

IUPAC3-methoxy-5-propylsulfanylpyridine
SMILESCCCSc1cncc(OC)c1
InChIInChI=1S/C9H13NOS/c1-3-4-12-9-5-8(11-2)6-10-7-9/h5-7H,3-4H2,1-2H3
InChIKeyPCPKTSYXEMSICQ-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.59
Rot. Bonds4

About 3-methoxy-5-propylsulfanylpyridine

3-methoxy-5-propylsulfanylpyridine (PubChem CID 138973558) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 3-methoxy-5-propylsulfanylpyridine.

Molecular Properties

Compound Name3-methoxy-5-propylsulfanylpyridine
PubChem CID138973558
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name3-methoxy-5-propylsulfanylpyridine
SMILESCCCSc1cncc(OC)c1
InChIInChI=1S/C9H13NOS/c1-3-4-12-9-5-8(11-2)6-10-7-9/h5-7H,3-4H2,1-2H3
InChIKeyPCPKTSYXEMSICQ-UHFFFAOYSA-N
XLogP2.59
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-propylsulfanylpyridine?
The IUPAC name of 3-methoxy-5-propylsulfanylpyridine (CID 138973558) is 3-methoxy-5-propylsulfanylpyridine.
What is the SMILES notation for 3-methoxy-5-propylsulfanylpyridine?
The canonical SMILES for 3-methoxy-5-propylsulfanylpyridine is CCCSc1cncc(OC)c1.
What is the InChIKey of 3-methoxy-5-propylsulfanylpyridine?
The InChIKey is PCPKTSYXEMSICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-3-4-12-9-5-8(11-2)6-10-7-9/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-methoxy-5-propylsulfanylpyridine?
3-methoxy-5-propylsulfanylpyridine has a molecular weight of 183.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-propylsulfanylpyridine is sourced from PubChem (CID 138973558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).