5-(difluoromethyl)-2-fluoropyridine-4-sulfonyl chloride

C6H3ClF3NO2S — CID 130096580

IUPAC5-(difluoromethyl)-2-fluoropyridine-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)ncc1C(F)F
InChIInChI=1S/C6H3ClF3NO2S/c7-14(12,13)4-1-5(8)11-2-3(4)6(9)10/h1-2,6H
InChIKeySTBXYDJOUKDOLY-UHFFFAOYSA-N
MW245.61 g/mol
LogP2.09
Rot. Bonds2

About 5-(difluoromethyl)-2-fluoropyridine-4-sulfonyl chloride

5-(difluoromethyl)-2-fluoropyridine-4-sulfonyl chloride (PubChem CID 130096580) has the molecular formula C6H3ClF3NO2S and a molecular weight of 245.61 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-fluoropyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name5-(difluoromethyl)-2-fluoropyridine-4-sulfonyl chloride
PubChem CID130096580
Molecular FormulaC6H3ClF3NO2S
Molecular Weight245.61 g/mol
Exact Mass244.95
IUPAC Name5-(difluoromethyl)-2-fluoropyridine-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)ncc1C(F)F
InChIInChI=1S/C6H3ClF3NO2S/c7-14(12,13)4-1-5(8)11-2-3(4)6(9)10/h1-2,6H
InChIKeySTBXYDJOUKDOLY-UHFFFAOYSA-N
XLogP2.09
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.61
LogP ≤ 52.09
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

2-amino-5-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130094943
2-(difluoromethyl)-5-fluorobenzenesulfonyl chloride
CID 155943282
4-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 118846246
4-bromo-5-(difluoromethyl)-2-fluoropyridine
CID 118839444
5-(difluoromethyl)-4,6-difluoropyridine-3-sulfonyl chloride
CID 130099934
5-chloro-2-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130095758
5-chloro-2-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130095757
3-chloro-5-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride
CID 130072163
4-(chloromethyl)-5-(difluoromethyl)-2-fluoropyridine
CID 130096360
4-bromo-5-(difluoromethyl)-2-fluoropyridine-3-sulfonyl chloride
CID 118850691
5-amino-2-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130094958
2-(difluoromethyl)-5-hydroxypyridine-4-sulfonyl chloride
CID 118804023

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-fluoropyridine-4-sulfonyl chloride?
The IUPAC name of 5-(difluoromethyl)-2-fluoropyridine-4-sulfonyl chloride (CID 130096580) is 5-(difluoromethyl)-2-fluoropyridine-4-sulfonyl chloride.
What is the SMILES notation for 5-(difluoromethyl)-2-fluoropyridine-4-sulfonyl chloride?
The canonical SMILES for 5-(difluoromethyl)-2-fluoropyridine-4-sulfonyl chloride is O=S(=O)(Cl)c1cc(F)ncc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-2-fluoropyridine-4-sulfonyl chloride?
The InChIKey is STBXYDJOUKDOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3NO2S/c7-14(12,13)4-1-5(8)11-2-3(4)6(9)10/h1-2,6H.
What are the key properties of 5-(difluoromethyl)-2-fluoropyridine-4-sulfonyl chloride?
5-(difluoromethyl)-2-fluoropyridine-4-sulfonyl chloride has a molecular weight of 245.61 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-fluoropyridine-4-sulfonyl chloride is sourced from PubChem (CID 130096580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).