phenyl 3-chloro-5-fluoropyridine-2-sulfinate

C11H7ClFNO2S — CID 59962474

IUPACphenyl 3-chloro-5-fluoropyridine-2-sulfinate
SMILESO=S(Oc1ccccc1)c1ncc(F)cc1Cl
InChIInChI=1S/C11H7ClFNO2S/c12-10-6-8(13)7-14-11(10)17(15)16-9-4-2-1-3-5-9/h1-7H
InChIKeyGKPJGQIJVGBDES-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.98
Rot. Bonds3

About phenyl 3-chloro-5-fluoropyridine-2-sulfinate

phenyl 3-chloro-5-fluoropyridine-2-sulfinate (PubChem CID 59962474) has the molecular formula C11H7ClFNO2S and a molecular weight of 271.70 g/mol. Its IUPAC name is phenyl 3-chloro-5-fluoropyridine-2-sulfinate.

Molecular Properties

Compound Namephenyl 3-chloro-5-fluoropyridine-2-sulfinate
PubChem CID59962474
Molecular FormulaC11H7ClFNO2S
Molecular Weight271.70 g/mol
Exact Mass270.99
IUPAC Namephenyl 3-chloro-5-fluoropyridine-2-sulfinate
SMILESO=S(Oc1ccccc1)c1ncc(F)cc1Cl
InChIInChI=1S/C11H7ClFNO2S/c12-10-6-8(13)7-14-11(10)17(15)16-9-4-2-1-3-5-9/h1-7H
InChIKeyGKPJGQIJVGBDES-UHFFFAOYSA-N
XLogP2.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl 3-chloro-5-fluoropyridine-2-sulfinate?
The IUPAC name of phenyl 3-chloro-5-fluoropyridine-2-sulfinate (CID 59962474) is phenyl 3-chloro-5-fluoropyridine-2-sulfinate.
What is the SMILES notation for phenyl 3-chloro-5-fluoropyridine-2-sulfinate?
The canonical SMILES for phenyl 3-chloro-5-fluoropyridine-2-sulfinate is O=S(Oc1ccccc1)c1ncc(F)cc1Cl.
What is the InChIKey of phenyl 3-chloro-5-fluoropyridine-2-sulfinate?
The InChIKey is GKPJGQIJVGBDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO2S/c12-10-6-8(13)7-14-11(10)17(15)16-9-4-2-1-3-5-9/h1-7H.
What are the key properties of phenyl 3-chloro-5-fluoropyridine-2-sulfinate?
phenyl 3-chloro-5-fluoropyridine-2-sulfinate has a molecular weight of 271.70 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-chloro-5-fluoropyridine-2-sulfinate is sourced from PubChem (CID 59962474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).