5-chloro-3-ethylsulfonyl-2-fluoropyridine

C7H7ClFNO2S — CID 176653865

IUPAC5-chloro-3-ethylsulfonyl-2-fluoropyridine
SMILESCCS(=O)(=O)c1cc(Cl)cnc1F
InChIInChI=1S/C7H7ClFNO2S/c1-2-13(11,12)6-3-5(8)4-10-7(6)9/h3-4H,2H2,1H3
InChIKeyWUKOJWLWGKFZFW-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.67
Rot. Bonds2

About 5-chloro-3-ethylsulfonyl-2-fluoropyridine

5-chloro-3-ethylsulfonyl-2-fluoropyridine (PubChem CID 176653865) has the molecular formula C7H7ClFNO2S and a molecular weight of 223.66 g/mol. Its IUPAC name is 5-chloro-3-ethylsulfonyl-2-fluoropyridine.

Molecular Properties

Compound Name5-chloro-3-ethylsulfonyl-2-fluoropyridine
PubChem CID176653865
Molecular FormulaC7H7ClFNO2S
Molecular Weight223.66 g/mol
Exact Mass222.99
IUPAC Name5-chloro-3-ethylsulfonyl-2-fluoropyridine
SMILESCCS(=O)(=O)c1cc(Cl)cnc1F
InChIInChI=1S/C7H7ClFNO2S/c1-2-13(11,12)6-3-5(8)4-10-7(6)9/h3-4H,2H2,1H3
InChIKeyWUKOJWLWGKFZFW-UHFFFAOYSA-N
XLogP1.67
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.67
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethylsulfonyl-2-fluoropyridine?
The IUPAC name of 5-chloro-3-ethylsulfonyl-2-fluoropyridine (CID 176653865) is 5-chloro-3-ethylsulfonyl-2-fluoropyridine.
What is the SMILES notation for 5-chloro-3-ethylsulfonyl-2-fluoropyridine?
The canonical SMILES for 5-chloro-3-ethylsulfonyl-2-fluoropyridine is CCS(=O)(=O)c1cc(Cl)cnc1F.
What is the InChIKey of 5-chloro-3-ethylsulfonyl-2-fluoropyridine?
The InChIKey is WUKOJWLWGKFZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFNO2S/c1-2-13(11,12)6-3-5(8)4-10-7(6)9/h3-4H,2H2,1H3.
What are the key properties of 5-chloro-3-ethylsulfonyl-2-fluoropyridine?
5-chloro-3-ethylsulfonyl-2-fluoropyridine has a molecular weight of 223.66 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethylsulfonyl-2-fluoropyridine is sourced from PubChem (CID 176653865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).