6-methoxy-2-(2-methyloxolan-3-yl)sulfonyl-3-nitropyridine

C11H14N2O6S — CID 135303965

IUPAC6-methoxy-2-(2-methyloxolan-3-yl)sulfonyl-3-nitropyridine
SMILESCOc1ccc([N+](=O)[O-])c(S(=O)(=O)C2CCOC2C)n1
InChIInChI=1S/C11H14N2O6S/c1-7-9(5-6-19-7)20(16,17)11-8(13(14)15)3-4-10(12-11)18-2/h3-4,7,9H,5-6H2,1-2H3
InChIKeyJUWDGCRYEJSZPE-UHFFFAOYSA-N
MW302.31 g/mol
LogP0.95
Rot. Bonds4

About 6-methoxy-2-(2-methyloxolan-3-yl)sulfonyl-3-nitropyridine

6-methoxy-2-(2-methyloxolan-3-yl)sulfonyl-3-nitropyridine (PubChem CID 135303965) has the molecular formula C11H14N2O6S and a molecular weight of 302.31 g/mol. Its IUPAC name is 6-methoxy-2-(2-methyloxolan-3-yl)sulfonyl-3-nitropyridine.

Molecular Properties

Compound Name6-methoxy-2-(2-methyloxolan-3-yl)sulfonyl-3-nitropyridine
PubChem CID135303965
Molecular FormulaC11H14N2O6S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Name6-methoxy-2-(2-methyloxolan-3-yl)sulfonyl-3-nitropyridine
SMILESCOc1ccc([N+](=O)[O-])c(S(=O)(=O)C2CCOC2C)n1
InChIInChI=1S/C11H14N2O6S/c1-7-9(5-6-19-7)20(16,17)11-8(13(14)15)3-4-10(12-11)18-2/h3-4,7,9H,5-6H2,1-2H3
InChIKeyJUWDGCRYEJSZPE-UHFFFAOYSA-N
XLogP0.95
TPSA108.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 50.95
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(2-methyloxolan-3-yl)sulfonyl-3-nitropyridine?
The IUPAC name of 6-methoxy-2-(2-methyloxolan-3-yl)sulfonyl-3-nitropyridine (CID 135303965) is 6-methoxy-2-(2-methyloxolan-3-yl)sulfonyl-3-nitropyridine.
What is the SMILES notation for 6-methoxy-2-(2-methyloxolan-3-yl)sulfonyl-3-nitropyridine?
The canonical SMILES for 6-methoxy-2-(2-methyloxolan-3-yl)sulfonyl-3-nitropyridine is COc1ccc([N+](=O)[O-])c(S(=O)(=O)C2CCOC2C)n1.
What is the InChIKey of 6-methoxy-2-(2-methyloxolan-3-yl)sulfonyl-3-nitropyridine?
The InChIKey is JUWDGCRYEJSZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6S/c1-7-9(5-6-19-7)20(16,17)11-8(13(14)15)3-4-10(12-11)18-2/h3-4,7,9H,5-6H2,1-2H3.
What are the key properties of 6-methoxy-2-(2-methyloxolan-3-yl)sulfonyl-3-nitropyridine?
6-methoxy-2-(2-methyloxolan-3-yl)sulfonyl-3-nitropyridine has a molecular weight of 302.31 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(2-methyloxolan-3-yl)sulfonyl-3-nitropyridine is sourced from PubChem (CID 135303965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).