5-(difluoromethoxy)-3-methyl-2-methylsulfanylpyridine

C8H9F2NOS — CID 68857309

IUPAC5-(difluoromethoxy)-3-methyl-2-methylsulfanylpyridine
SMILESCSc1ncc(OC(F)F)cc1C
InChIInChI=1S/C8H9F2NOS/c1-5-3-6(12-8(9)10)4-11-7(5)13-2/h3-4,8H,1-2H3
InChIKeyPCLIBAPWYZZTAW-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.71
Rot. Bonds3

About 5-(difluoromethoxy)-3-methyl-2-methylsulfanylpyridine

5-(difluoromethoxy)-3-methyl-2-methylsulfanylpyridine (PubChem CID 68857309) has the molecular formula C8H9F2NOS and a molecular weight of 205.23 g/mol. Its IUPAC name is 5-(difluoromethoxy)-3-methyl-2-methylsulfanylpyridine.

Molecular Properties

Compound Name5-(difluoromethoxy)-3-methyl-2-methylsulfanylpyridine
PubChem CID68857309
Molecular FormulaC8H9F2NOS
Molecular Weight205.23 g/mol
Exact Mass205.04
IUPAC Name5-(difluoromethoxy)-3-methyl-2-methylsulfanylpyridine
SMILESCSc1ncc(OC(F)F)cc1C
InChIInChI=1S/C8H9F2NOS/c1-5-3-6(12-8(9)10)4-11-7(5)13-2/h3-4,8H,1-2H3
InChIKeyPCLIBAPWYZZTAW-UHFFFAOYSA-N
XLogP2.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(difluoromethoxy)-3-methyl-2-methylsulfanylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-3-methyl-2-methylsulfanylpyridine?
The IUPAC name of 5-(difluoromethoxy)-3-methyl-2-methylsulfanylpyridine (CID 68857309) is 5-(difluoromethoxy)-3-methyl-2-methylsulfanylpyridine.
What is the SMILES notation for 5-(difluoromethoxy)-3-methyl-2-methylsulfanylpyridine?
The canonical SMILES for 5-(difluoromethoxy)-3-methyl-2-methylsulfanylpyridine is CSc1ncc(OC(F)F)cc1C.
What is the InChIKey of 5-(difluoromethoxy)-3-methyl-2-methylsulfanylpyridine?
The InChIKey is PCLIBAPWYZZTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NOS/c1-5-3-6(12-8(9)10)4-11-7(5)13-2/h3-4,8H,1-2H3.
What are the key properties of 5-(difluoromethoxy)-3-methyl-2-methylsulfanylpyridine?
5-(difluoromethoxy)-3-methyl-2-methylsulfanylpyridine has a molecular weight of 205.23 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-3-methyl-2-methylsulfanylpyridine is sourced from PubChem (CID 68857309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).