5-chloro-4-fluoropyridine-3-sulfonyl chloride

C5H2Cl2FNO2S — CID 130775425

IUPAC5-chloro-4-fluoropyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cncc(Cl)c1F
InChIInChI=1S/C5H2Cl2FNO2S/c6-3-1-9-2-4(5(3)8)12(7,10)11/h1-2H
InChIKeyOKMZLYVOLOQIHB-UHFFFAOYSA-N
MW230.05 g/mol
LogP1.80
Rot. Bonds1

About 5-chloro-4-fluoropyridine-3-sulfonyl chloride

5-chloro-4-fluoropyridine-3-sulfonyl chloride (PubChem CID 130775425) has the molecular formula C5H2Cl2FNO2S and a molecular weight of 230.05 g/mol. Its IUPAC name is 5-chloro-4-fluoropyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-4-fluoropyridine-3-sulfonyl chloride
PubChem CID130775425
Molecular FormulaC5H2Cl2FNO2S
Molecular Weight230.05 g/mol
Exact Mass228.92
IUPAC Name5-chloro-4-fluoropyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cncc(Cl)c1F
InChIInChI=1S/C5H2Cl2FNO2S/c6-3-1-9-2-4(5(3)8)12(7,10)11/h1-2H
InChIKeyOKMZLYVOLOQIHB-UHFFFAOYSA-N
XLogP1.80
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoropyridine-3-sulfonyl chloride?
The IUPAC name of 5-chloro-4-fluoropyridine-3-sulfonyl chloride (CID 130775425) is 5-chloro-4-fluoropyridine-3-sulfonyl chloride.
What is the SMILES notation for 5-chloro-4-fluoropyridine-3-sulfonyl chloride?
The canonical SMILES for 5-chloro-4-fluoropyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1cncc(Cl)c1F.
What is the InChIKey of 5-chloro-4-fluoropyridine-3-sulfonyl chloride?
The InChIKey is OKMZLYVOLOQIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2FNO2S/c6-3-1-9-2-4(5(3)8)12(7,10)11/h1-2H.
What are the key properties of 5-chloro-4-fluoropyridine-3-sulfonyl chloride?
5-chloro-4-fluoropyridine-3-sulfonyl chloride has a molecular weight of 230.05 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoropyridine-3-sulfonyl chloride is sourced from PubChem (CID 130775425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).