5-(difluoromethyl)-4,6-difluoropyridine-3-sulfonyl chloride

C6H2ClF4NO2S — CID 130099934

IUPAC5-(difluoromethyl)-4,6-difluoropyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc(F)c(C(F)F)c1F
InChIInChI=1S/C6H2ClF4NO2S/c7-15(13,14)2-1-12-6(11)3(4(2)8)5(9)10/h1,5H
InChIKeyGJZXOFMIBVVPMY-UHFFFAOYSA-N
MW263.60 g/mol
LogP2.22
Rot. Bonds2

About 5-(difluoromethyl)-4,6-difluoropyridine-3-sulfonyl chloride

5-(difluoromethyl)-4,6-difluoropyridine-3-sulfonyl chloride (PubChem CID 130099934) has the molecular formula C6H2ClF4NO2S and a molecular weight of 263.60 g/mol. Its IUPAC name is 5-(difluoromethyl)-4,6-difluoropyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-(difluoromethyl)-4,6-difluoropyridine-3-sulfonyl chloride
PubChem CID130099934
Molecular FormulaC6H2ClF4NO2S
Molecular Weight263.60 g/mol
Exact Mass262.94
IUPAC Name5-(difluoromethyl)-4,6-difluoropyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc(F)c(C(F)F)c1F
InChIInChI=1S/C6H2ClF4NO2S/c7-15(13,14)2-1-12-6(11)3(4(2)8)5(9)10/h1,5H
InChIKeyGJZXOFMIBVVPMY-UHFFFAOYSA-N
XLogP2.22
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.60
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride
CID 130109897
5-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride
CID 130076358
4-chloro-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
CID 130074571
4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-sulfonyl chloride
CID 118817690
6-amino-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonyl chloride
CID 130105042
4-bromo-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
CID 118817278
5-(difluoromethyl)-4,6-difluoropyridin-3-ol
CID 130099609
5-chloro-4-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride
CID 130072158
4-chloro-6-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 118799899
4-chloro-5-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride
CID 131446510
5-chloro-4-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride
CID 131446496
5-(difluoromethyl)-2-fluoropyridine-4-sulfonyl chloride
CID 130096580

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4,6-difluoropyridine-3-sulfonyl chloride?
The IUPAC name of 5-(difluoromethyl)-4,6-difluoropyridine-3-sulfonyl chloride (CID 130099934) is 5-(difluoromethyl)-4,6-difluoropyridine-3-sulfonyl chloride.
What is the SMILES notation for 5-(difluoromethyl)-4,6-difluoropyridine-3-sulfonyl chloride?
The canonical SMILES for 5-(difluoromethyl)-4,6-difluoropyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1cnc(F)c(C(F)F)c1F.
What is the InChIKey of 5-(difluoromethyl)-4,6-difluoropyridine-3-sulfonyl chloride?
The InChIKey is GJZXOFMIBVVPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF4NO2S/c7-15(13,14)2-1-12-6(11)3(4(2)8)5(9)10/h1,5H.
What are the key properties of 5-(difluoromethyl)-4,6-difluoropyridine-3-sulfonyl chloride?
5-(difluoromethyl)-4,6-difluoropyridine-3-sulfonyl chloride has a molecular weight of 263.60 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4,6-difluoropyridine-3-sulfonyl chloride is sourced from PubChem (CID 130099934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).