5-(difluoromethoxy)-4-methylsulfanyl-2-propan-2-ylpyridine

C10H13F2NOS — CID 138700757

IUPAC5-(difluoromethoxy)-4-methylsulfanyl-2-propan-2-ylpyridine
SMILESCSc1cc(C(C)C)ncc1OC(F)F
InChIInChI=1S/C10H13F2NOS/c1-6(2)7-4-9(15-3)8(5-13-7)14-10(11)12/h4-6,10H,1-3H3
InChIKeyJBLYRQZKYOTTAV-UHFFFAOYSA-N
MW233.28 g/mol
LogP3.53
Rot. Bonds4

About 5-(difluoromethoxy)-4-methylsulfanyl-2-propan-2-ylpyridine

5-(difluoromethoxy)-4-methylsulfanyl-2-propan-2-ylpyridine (PubChem CID 138700757) has the molecular formula C10H13F2NOS and a molecular weight of 233.28 g/mol. Its IUPAC name is 5-(difluoromethoxy)-4-methylsulfanyl-2-propan-2-ylpyridine.

Molecular Properties

Compound Name5-(difluoromethoxy)-4-methylsulfanyl-2-propan-2-ylpyridine
PubChem CID138700757
Molecular FormulaC10H13F2NOS
Molecular Weight233.28 g/mol
Exact Mass233.07
IUPAC Name5-(difluoromethoxy)-4-methylsulfanyl-2-propan-2-ylpyridine
SMILESCSc1cc(C(C)C)ncc1OC(F)F
InChIInChI=1S/C10H13F2NOS/c1-6(2)7-4-9(15-3)8(5-13-7)14-10(11)12/h4-6,10H,1-3H3
InChIKeyJBLYRQZKYOTTAV-UHFFFAOYSA-N
XLogP3.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-4-methylsulfanyl-2-propan-2-ylpyridine?
The IUPAC name of 5-(difluoromethoxy)-4-methylsulfanyl-2-propan-2-ylpyridine (CID 138700757) is 5-(difluoromethoxy)-4-methylsulfanyl-2-propan-2-ylpyridine.
What is the SMILES notation for 5-(difluoromethoxy)-4-methylsulfanyl-2-propan-2-ylpyridine?
The canonical SMILES for 5-(difluoromethoxy)-4-methylsulfanyl-2-propan-2-ylpyridine is CSc1cc(C(C)C)ncc1OC(F)F.
What is the InChIKey of 5-(difluoromethoxy)-4-methylsulfanyl-2-propan-2-ylpyridine?
The InChIKey is JBLYRQZKYOTTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NOS/c1-6(2)7-4-9(15-3)8(5-13-7)14-10(11)12/h4-6,10H,1-3H3.
What are the key properties of 5-(difluoromethoxy)-4-methylsulfanyl-2-propan-2-ylpyridine?
5-(difluoromethoxy)-4-methylsulfanyl-2-propan-2-ylpyridine has a molecular weight of 233.28 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-4-methylsulfanyl-2-propan-2-ylpyridine is sourced from PubChem (CID 138700757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).