6-methoxy-3-nitro-2-pyridin-4-ylsulfonylpyridine

C11H9N3O5S — CID 142411355

IUPAC6-methoxy-3-nitro-2-pyridin-4-ylsulfonylpyridine
SMILESCOc1ccc([N+](=O)[O-])c(S(=O)(=O)c2ccncc2)n1
InChIInChI=1S/C11H9N3O5S/c1-19-10-3-2-9(14(15)16)11(13-10)20(17,18)8-4-6-12-7-5-8/h2-7H,1H3
InChIKeyQETZNNQFYYEIJM-UHFFFAOYSA-N
MW295.28 g/mol
LogP1.23
Rot. Bonds4

About 6-methoxy-3-nitro-2-pyridin-4-ylsulfonylpyridine

6-methoxy-3-nitro-2-pyridin-4-ylsulfonylpyridine (PubChem CID 142411355) has the molecular formula C11H9N3O5S and a molecular weight of 295.28 g/mol. Its IUPAC name is 6-methoxy-3-nitro-2-pyridin-4-ylsulfonylpyridine.

Molecular Properties

Compound Name6-methoxy-3-nitro-2-pyridin-4-ylsulfonylpyridine
PubChem CID142411355
Molecular FormulaC11H9N3O5S
Molecular Weight295.28 g/mol
Exact Mass295.03
IUPAC Name6-methoxy-3-nitro-2-pyridin-4-ylsulfonylpyridine
SMILESCOc1ccc([N+](=O)[O-])c(S(=O)(=O)c2ccncc2)n1
InChIInChI=1S/C11H9N3O5S/c1-19-10-3-2-9(14(15)16)11(13-10)20(17,18)8-4-6-12-7-5-8/h2-7H,1H3
InChIKeyQETZNNQFYYEIJM-UHFFFAOYSA-N
XLogP1.23
TPSA112.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 51.23
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-3-nitro-2-pyridin-4-ylsulfonylpyridine?
The IUPAC name of 6-methoxy-3-nitro-2-pyridin-4-ylsulfonylpyridine (CID 142411355) is 6-methoxy-3-nitro-2-pyridin-4-ylsulfonylpyridine.
What is the SMILES notation for 6-methoxy-3-nitro-2-pyridin-4-ylsulfonylpyridine?
The canonical SMILES for 6-methoxy-3-nitro-2-pyridin-4-ylsulfonylpyridine is COc1ccc([N+](=O)[O-])c(S(=O)(=O)c2ccncc2)n1.
What is the InChIKey of 6-methoxy-3-nitro-2-pyridin-4-ylsulfonylpyridine?
The InChIKey is QETZNNQFYYEIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O5S/c1-19-10-3-2-9(14(15)16)11(13-10)20(17,18)8-4-6-12-7-5-8/h2-7H,1H3.
What are the key properties of 6-methoxy-3-nitro-2-pyridin-4-ylsulfonylpyridine?
6-methoxy-3-nitro-2-pyridin-4-ylsulfonylpyridine has a molecular weight of 295.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-nitro-2-pyridin-4-ylsulfonylpyridine is sourced from PubChem (CID 142411355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).