2-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine

C11H15F2NO3S — CID 138712200

IUPAC2-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine
SMILESCCCCc1ncc(OC(F)F)cc1S(C)(=O)=O
InChIInChI=1S/C11H15F2NO3S/c1-3-4-5-9-10(18(2,15)16)6-8(7-14-9)17-11(12)13/h6-7,11H,3-5H2,1-2H3
InChIKeyMBQSHNSEASRYTC-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.43
Rot. Bonds6

About 2-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine

2-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine (PubChem CID 138712200) has the molecular formula C11H15F2NO3S and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine.

Molecular Properties

Compound Name2-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine
PubChem CID138712200
Molecular FormulaC11H15F2NO3S
Molecular Weight279.31 g/mol
Exact Mass279.07
IUPAC Name2-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine
SMILESCCCCc1ncc(OC(F)F)cc1S(C)(=O)=O
InChIInChI=1S/C11H15F2NO3S/c1-3-4-5-9-10(18(2,15)16)6-8(7-14-9)17-11(12)13/h6-7,11H,3-5H2,1-2H3
InChIKeyMBQSHNSEASRYTC-UHFFFAOYSA-N
XLogP2.43
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine 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 2-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine?
The IUPAC name of 2-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine (CID 138712200) is 2-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine.
What is the SMILES notation for 2-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine?
The canonical SMILES for 2-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine is CCCCc1ncc(OC(F)F)cc1S(C)(=O)=O.
What is the InChIKey of 2-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine?
The InChIKey is MBQSHNSEASRYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3S/c1-3-4-5-9-10(18(2,15)16)6-8(7-14-9)17-11(12)13/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 2-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine?
2-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine has a molecular weight of 279.31 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-(difluoromethoxy)-3-methylsulfonylpyridine is sourced from PubChem (CID 138712200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).