6-methoxy-3-nitro-2-(2-phenoxyethylsulfonyl)pyridine

C14H14N2O6S — CID 135303954

IUPAC6-methoxy-3-nitro-2-(2-phenoxyethylsulfonyl)pyridine
SMILESCOc1ccc([N+](=O)[O-])c(S(=O)(=O)CCOc2ccccc2)n1
InChIInChI=1S/C14H14N2O6S/c1-21-13-8-7-12(16(17)18)14(15-13)23(19,20)10-9-22-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3
InChIKeySQHWFVHDPHLRPX-UHFFFAOYSA-N
MW338.34 g/mol
LogP1.85
Rot. Bonds7

About 6-methoxy-3-nitro-2-(2-phenoxyethylsulfonyl)pyridine

6-methoxy-3-nitro-2-(2-phenoxyethylsulfonyl)pyridine (PubChem CID 135303954) has the molecular formula C14H14N2O6S and a molecular weight of 338.34 g/mol. Its IUPAC name is 6-methoxy-3-nitro-2-(2-phenoxyethylsulfonyl)pyridine.

Molecular Properties

Compound Name6-methoxy-3-nitro-2-(2-phenoxyethylsulfonyl)pyridine
PubChem CID135303954
Molecular FormulaC14H14N2O6S
Molecular Weight338.34 g/mol
Exact Mass338.06
IUPAC Name6-methoxy-3-nitro-2-(2-phenoxyethylsulfonyl)pyridine
SMILESCOc1ccc([N+](=O)[O-])c(S(=O)(=O)CCOc2ccccc2)n1
InChIInChI=1S/C14H14N2O6S/c1-21-13-8-7-12(16(17)18)14(15-13)23(19,20)10-9-22-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3
InChIKeySQHWFVHDPHLRPX-UHFFFAOYSA-N
XLogP1.85
TPSA108.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 51.85
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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Related Compounds

6-Methoxy-3-nitro-2-(phenylsulfonyl)pyridine
CID 2801236
2-((4-Chlorophenyl)sulfonyl)-6-methoxy-3-nitropyridine
CID 2801235
6-Methoxy-3-nitro-2-[[4-(trifluoromethoxy)phenyl]methylsulfonyl]pyridine
CID 142411378
6-Methoxy-3-nitro-2-(5,5,5-trifluoropentylsulfonyl)pyridine
CID 142411397
US11161815, Example 22
CID 142411400
US11028067, Example 4
CID 142411355
2-[4-(Methylsulfonimidoyl)phenoxy]-5-nitropyridine
CID 615585
US11161815, Example 33
CID 135303957
US11161815, Example 16
CID 135303958
US11161815, Example 26
CID 135303961
US11028067, Example 7
CID 135303963
US11168069, Example 1
CID 135303965

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-nitro-2-(2-phenoxyethylsulfonyl)pyridine?
The IUPAC name of 6-methoxy-3-nitro-2-(2-phenoxyethylsulfonyl)pyridine (CID 135303954) is 6-methoxy-3-nitro-2-(2-phenoxyethylsulfonyl)pyridine.
What is the SMILES notation for 6-methoxy-3-nitro-2-(2-phenoxyethylsulfonyl)pyridine?
The canonical SMILES for 6-methoxy-3-nitro-2-(2-phenoxyethylsulfonyl)pyridine is COc1ccc([N+](=O)[O-])c(S(=O)(=O)CCOc2ccccc2)n1.
What is the InChIKey of 6-methoxy-3-nitro-2-(2-phenoxyethylsulfonyl)pyridine?
The InChIKey is SQHWFVHDPHLRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6S/c1-21-13-8-7-12(16(17)18)14(15-13)23(19,20)10-9-22-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3.
What are the key properties of 6-methoxy-3-nitro-2-(2-phenoxyethylsulfonyl)pyridine?
6-methoxy-3-nitro-2-(2-phenoxyethylsulfonyl)pyridine has a molecular weight of 338.34 g/mol, XLogP of 1.85, 7 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-(2-phenoxyethylsulfonyl)pyridine is sourced from PubChem (CID 135303954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).