4-(benzenesulfinyl)-2,6-dichloropyridine

C11H7Cl2NOS — CID 118642020

IUPAC4-(benzenesulfinyl)-2,6-dichloropyridine
SMILESO=S(c1ccccc1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H7Cl2NOS/c12-10-6-9(7-11(13)14-10)16(15)8-4-2-1-3-5-8/h1-7H
InChIKeyBMLSUXDJWOUOQD-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.56
Rot. Bonds2

About 4-(benzenesulfinyl)-2,6-dichloropyridine

4-(benzenesulfinyl)-2,6-dichloropyridine (PubChem CID 118642020) has the molecular formula C11H7Cl2NOS and a molecular weight of 272.16 g/mol. Its IUPAC name is 4-(benzenesulfinyl)-2,6-dichloropyridine.

Molecular Properties

Compound Name4-(benzenesulfinyl)-2,6-dichloropyridine
PubChem CID118642020
Molecular FormulaC11H7Cl2NOS
Molecular Weight272.16 g/mol
Exact Mass270.96
IUPAC Name4-(benzenesulfinyl)-2,6-dichloropyridine
SMILESO=S(c1ccccc1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H7Cl2NOS/c12-10-6-9(7-11(13)14-10)16(15)8-4-2-1-3-5-8/h1-7H
InChIKeyBMLSUXDJWOUOQD-UHFFFAOYSA-N
XLogP3.56
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-(benzenesulfinyl)-2,6-dichloropyridine?
The IUPAC name of 4-(benzenesulfinyl)-2,6-dichloropyridine (CID 118642020) is 4-(benzenesulfinyl)-2,6-dichloropyridine.
What is the SMILES notation for 4-(benzenesulfinyl)-2,6-dichloropyridine?
The canonical SMILES for 4-(benzenesulfinyl)-2,6-dichloropyridine is O=S(c1ccccc1)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 4-(benzenesulfinyl)-2,6-dichloropyridine?
The InChIKey is BMLSUXDJWOUOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NOS/c12-10-6-9(7-11(13)14-10)16(15)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 4-(benzenesulfinyl)-2,6-dichloropyridine?
4-(benzenesulfinyl)-2,6-dichloropyridine has a molecular weight of 272.16 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfinyl)-2,6-dichloropyridine is sourced from PubChem (CID 118642020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).