3-(azetidin-1-ylsulfonyl)-6-chloro-2-methoxypyridine

C9H11ClN2O3S — CID 168941243

IUPAC3-(azetidin-1-ylsulfonyl)-6-chloro-2-methoxypyridine
SMILESCOc1nc(Cl)ccc1S(=O)(=O)N1CCC1
InChIInChI=1S/C9H11ClN2O3S/c1-15-9-7(3-4-8(10)11-9)16(13,14)12-5-2-6-12/h3-4H,2,5-6H2,1H3
InChIKeyJVYJDLZTPCLVNY-UHFFFAOYSA-N
MW262.72 g/mol
LogP1.14
Rot. Bonds3

About 3-(azetidin-1-ylsulfonyl)-6-chloro-2-methoxypyridine

3-(azetidin-1-ylsulfonyl)-6-chloro-2-methoxypyridine (PubChem CID 168941243) has the molecular formula C9H11ClN2O3S and a molecular weight of 262.72 g/mol. Its IUPAC name is 3-(azetidin-1-ylsulfonyl)-6-chloro-2-methoxypyridine.

Molecular Properties

Compound Name3-(azetidin-1-ylsulfonyl)-6-chloro-2-methoxypyridine
PubChem CID168941243
Molecular FormulaC9H11ClN2O3S
Molecular Weight262.72 g/mol
Exact Mass262.02
IUPAC Name3-(azetidin-1-ylsulfonyl)-6-chloro-2-methoxypyridine
SMILESCOc1nc(Cl)ccc1S(=O)(=O)N1CCC1
InChIInChI=1S/C9H11ClN2O3S/c1-15-9-7(3-4-8(10)11-9)16(13,14)12-5-2-6-12/h3-4H,2,5-6H2,1H3
InChIKeyJVYJDLZTPCLVNY-UHFFFAOYSA-N
XLogP1.14
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-(azetidin-1-ylsulfonyl)-6-chloro-2-methoxypyridine?
The IUPAC name of 3-(azetidin-1-ylsulfonyl)-6-chloro-2-methoxypyridine (CID 168941243) is 3-(azetidin-1-ylsulfonyl)-6-chloro-2-methoxypyridine.
What is the SMILES notation for 3-(azetidin-1-ylsulfonyl)-6-chloro-2-methoxypyridine?
The canonical SMILES for 3-(azetidin-1-ylsulfonyl)-6-chloro-2-methoxypyridine is COc1nc(Cl)ccc1S(=O)(=O)N1CCC1.
What is the InChIKey of 3-(azetidin-1-ylsulfonyl)-6-chloro-2-methoxypyridine?
The InChIKey is JVYJDLZTPCLVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3S/c1-15-9-7(3-4-8(10)11-9)16(13,14)12-5-2-6-12/h3-4H,2,5-6H2,1H3.
What are the key properties of 3-(azetidin-1-ylsulfonyl)-6-chloro-2-methoxypyridine?
3-(azetidin-1-ylsulfonyl)-6-chloro-2-methoxypyridine has a molecular weight of 262.72 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-ylsulfonyl)-6-chloro-2-methoxypyridine is sourced from PubChem (CID 168941243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).