[1-(6-methoxy-3-nitro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

C11H12ClN3O6S — CID 168673093

IUPAC[1-(6-methoxy-3-nitro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESCOc1ccc([N+](=O)[O-])c(N2CC(CS(=O)(=O)Cl)CC2=O)n1
InChIInChI=1S/C11H12ClN3O6S/c1-21-9-3-2-8(15(17)18)11(13-9)14-5-7(4-10(14)16)6-22(12,19)20/h2-3,7H,4-6H2,1H3
InChIKeyMYPPKHJKEOLJHU-UHFFFAOYSA-N
MW349.75 g/mol
LogP0.92
Rot. Bonds5

About [1-(6-methoxy-3-nitro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

[1-(6-methoxy-3-nitro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168673093) has the molecular formula C11H12ClN3O6S and a molecular weight of 349.75 g/mol. Its IUPAC name is [1-(6-methoxy-3-nitro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(6-methoxy-3-nitro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168673093
Molecular FormulaC11H12ClN3O6S
Molecular Weight349.75 g/mol
Exact Mass349.01
IUPAC Name[1-(6-methoxy-3-nitro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESCOc1ccc([N+](=O)[O-])c(N2CC(CS(=O)(=O)Cl)CC2=O)n1
InChIInChI=1S/C11H12ClN3O6S/c1-21-9-3-2-8(15(17)18)11(13-9)14-5-7(4-10(14)16)6-22(12,19)20/h2-3,7H,4-6H2,1H3
InChIKeyMYPPKHJKEOLJHU-UHFFFAOYSA-N
XLogP0.92
TPSA119.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.75
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [1-(6-methoxy-3-nitro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(6-chloro-3-nitro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682809
[1-(6-methoxypyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673095
[1-(4-fluoro-2-methoxy-5-nitrophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673045
[1-(3-methyl-5-nitro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673476
[1-(4-bromo-3-nitrophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674045
[1-(4-chloro-3-nitrophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674046
4-(hydroxymethyl)-1-(6-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-one
CID 168662648
[1-(2-chloro-5-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673127
[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-3-yl]methanamine
CID 115323231
[1-(4-methoxy-3-nitrophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675707
(5-oxo-1-pyrimidin-4-ylpyrrolidin-3-yl)methanesulfonyl chloride
CID 168674585
[1-(2-fluoro-6-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673174

Frequently Asked Questions

What is the IUPAC name of [1-(6-methoxy-3-nitro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-(6-methoxy-3-nitro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (CID 168673093) is [1-(6-methoxy-3-nitro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-(6-methoxy-3-nitro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-(6-methoxy-3-nitro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is COc1ccc([N+](=O)[O-])c(N2CC(CS(=O)(=O)Cl)CC2=O)n1.
What is the InChIKey of [1-(6-methoxy-3-nitro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is MYPPKHJKEOLJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O6S/c1-21-9-3-2-8(15(17)18)11(13-9)14-5-7(4-10(14)16)6-22(12,19)20/h2-3,7H,4-6H2,1H3.
What are the key properties of [1-(6-methoxy-3-nitro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
[1-(6-methoxy-3-nitro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 349.75 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methoxy-3-nitro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168673093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).