(E)-2-(2,6-dichloro-4-pyridinyl)ethenesulfonyl fluoride

C7H4Cl2FNO2S — CID 154716019

IUPAC(E)-2-(2,6-dichloro-4-pyridinyl)ethenesulfonyl fluoride
SMILESO=S(=O)(F)/C=C/c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C7H4Cl2FNO2S/c8-6-3-5(4-7(9)11-6)1-2-14(10,12)13/h1-4H/b2-1+
InChIKeyXTZMAKHZJHYSPC-OWOJBTEDSA-N
MW256.09 g/mol
LogP2.66
Rot. Bonds2

About (E)-2-(2,6-dichloro-4-pyridinyl)ethenesulfonyl fluoride

(E)-2-(2,6-dichloro-4-pyridinyl)ethenesulfonyl fluoride (PubChem CID 154716019) has the molecular formula C7H4Cl2FNO2S and a molecular weight of 256.09 g/mol. Its IUPAC name is (E)-2-(2,6-dichloro-4-pyridinyl)ethenesulfonyl fluoride.

Molecular Properties

Compound Name(E)-2-(2,6-dichloro-4-pyridinyl)ethenesulfonyl fluoride
PubChem CID154716019
Molecular FormulaC7H4Cl2FNO2S
Molecular Weight256.09 g/mol
Exact Mass254.93
IUPAC Name(E)-2-(2,6-dichloro-4-pyridinyl)ethenesulfonyl fluoride
SMILESO=S(=O)(F)/C=C/c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C7H4Cl2FNO2S/c8-6-3-5(4-7(9)11-6)1-2-14(10,12)13/h1-4H/b2-1+
InChIKeyXTZMAKHZJHYSPC-OWOJBTEDSA-N
XLogP2.66
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 52.66
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 (E)-2-(2,6-dichloro-4-pyridinyl)ethenesulfonyl fluoride?
The IUPAC name of (E)-2-(2,6-dichloro-4-pyridinyl)ethenesulfonyl fluoride (CID 154716019) is (E)-2-(2,6-dichloro-4-pyridinyl)ethenesulfonyl fluoride.
What is the SMILES notation for (E)-2-(2,6-dichloro-4-pyridinyl)ethenesulfonyl fluoride?
The canonical SMILES for (E)-2-(2,6-dichloro-4-pyridinyl)ethenesulfonyl fluoride is O=S(=O)(F)/C=C/c1cc(Cl)nc(Cl)c1.
What is the InChIKey of (E)-2-(2,6-dichloro-4-pyridinyl)ethenesulfonyl fluoride?
The InChIKey is XTZMAKHZJHYSPC-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H4Cl2FNO2S/c8-6-3-5(4-7(9)11-6)1-2-14(10,12)13/h1-4H/b2-1+.
What are the key properties of (E)-2-(2,6-dichloro-4-pyridinyl)ethenesulfonyl fluoride?
(E)-2-(2,6-dichloro-4-pyridinyl)ethenesulfonyl fluoride has a molecular weight of 256.09 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2,6-dichloro-4-pyridinyl)ethenesulfonyl fluoride is sourced from PubChem (CID 154716019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).