2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-sulfonyl chloride

C8H8ClF2NO3S — CID 118843442

IUPAC2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-sulfonyl chloride
SMILESCOc1cc(S(=O)(=O)Cl)c(C(F)F)nc1C
InChIInChI=1S/C8H8ClF2NO3S/c1-4-5(15-2)3-6(16(9,13)14)7(12-4)8(10)11/h3,8H,1-2H3
InChIKeyYFMCNDXQLYLTRO-UHFFFAOYSA-N
MW271.67 g/mol
LogP2.26
Rot. Bonds3

About 2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-sulfonyl chloride

2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-sulfonyl chloride (PubChem CID 118843442) has the molecular formula C8H8ClF2NO3S and a molecular weight of 271.67 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-sulfonyl chloride
PubChem CID118843442
Molecular FormulaC8H8ClF2NO3S
Molecular Weight271.67 g/mol
Exact Mass270.99
IUPAC Name2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-sulfonyl chloride
SMILESCOc1cc(S(=O)(=O)Cl)c(C(F)F)nc1C
InChIInChI=1S/C8H8ClF2NO3S/c1-4-5(15-2)3-6(16(9,13)14)7(12-4)8(10)11/h3,8H,1-2H3
InChIKeyYFMCNDXQLYLTRO-UHFFFAOYSA-N
XLogP2.26
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-sulfonyl chloride 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-(difluoromethyl)-5-methoxy-6-methylpyridine-3-sulfonyl chloride?
The IUPAC name of 2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-sulfonyl chloride (CID 118843442) is 2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-sulfonyl chloride?
The canonical SMILES for 2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-sulfonyl chloride is COc1cc(S(=O)(=O)Cl)c(C(F)F)nc1C.
What is the InChIKey of 2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-sulfonyl chloride?
The InChIKey is YFMCNDXQLYLTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO3S/c1-4-5(15-2)3-6(16(9,13)14)7(12-4)8(10)11/h3,8H,1-2H3.
What are the key properties of 2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-sulfonyl chloride?
2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-sulfonyl chloride has a molecular weight of 271.67 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-sulfonyl chloride is sourced from PubChem (CID 118843442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).