6-methoxy-3-nitro-2-(oxan-4-ylsulfinyl)pyridine

C11H14N2O5S — CID 135304377

IUPAC6-methoxy-3-nitro-2-(oxan-4-ylsulfinyl)pyridine
SMILESCOc1ccc([N+](=O)[O-])c(S(=O)C2CCOCC2)n1
InChIInChI=1S/C11H14N2O5S/c1-17-10-3-2-9(13(14)15)11(12-10)19(16)8-4-6-18-7-5-8/h2-3,8H,4-7H2,1H3
InChIKeyHCYDESGVEWJBGO-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.28
Rot. Bonds4

About 6-methoxy-3-nitro-2-(oxan-4-ylsulfinyl)pyridine

6-methoxy-3-nitro-2-(oxan-4-ylsulfinyl)pyridine (PubChem CID 135304377) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 6-methoxy-3-nitro-2-(oxan-4-ylsulfinyl)pyridine.

Molecular Properties

Compound Name6-methoxy-3-nitro-2-(oxan-4-ylsulfinyl)pyridine
PubChem CID135304377
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name6-methoxy-3-nitro-2-(oxan-4-ylsulfinyl)pyridine
SMILESCOc1ccc([N+](=O)[O-])c(S(=O)C2CCOCC2)n1
InChIInChI=1S/C11H14N2O5S/c1-17-10-3-2-9(13(14)15)11(12-10)19(16)8-4-6-18-7-5-8/h2-3,8H,4-7H2,1H3
InChIKeyHCYDESGVEWJBGO-UHFFFAOYSA-N
XLogP1.28
TPSA91.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-methoxy-3-nitro-2-(oxan-4-ylsulfinyl)pyridine 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

6-methoxy-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 79882191
N-(2-cyclopropyloxolan-3-yl)-6-methoxy-3-nitropyridin-2-amine
CID 103863968
6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine
CID 53407025
6-methoxy-3-nitro-2-propan-2-ylpyridine
CID 146296357
N-(azetidin-3-yl)-6-methoxy-N-methyl-3-nitropyridin-2-amine
CID 113286974
4-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]oxolane-3-carboxylic acid
CID 115321251
CID 157299402
CID 157299402
6-methoxy-3-nitro-2-piperidin-3-yloxypyridine
CID 115323414
N-(2-ethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
CID 115321476
N-(4,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
CID 115321551
1-cyclopropyl-2-(6-methoxy-3-nitro-2-pyridinyl)ethanol
CID 115323510
1-(6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethanamine
CID 174432384

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-nitro-2-(oxan-4-ylsulfinyl)pyridine?
The IUPAC name of 6-methoxy-3-nitro-2-(oxan-4-ylsulfinyl)pyridine (CID 135304377) is 6-methoxy-3-nitro-2-(oxan-4-ylsulfinyl)pyridine.
What is the SMILES notation for 6-methoxy-3-nitro-2-(oxan-4-ylsulfinyl)pyridine?
The canonical SMILES for 6-methoxy-3-nitro-2-(oxan-4-ylsulfinyl)pyridine is COc1ccc([N+](=O)[O-])c(S(=O)C2CCOCC2)n1.
What is the InChIKey of 6-methoxy-3-nitro-2-(oxan-4-ylsulfinyl)pyridine?
The InChIKey is HCYDESGVEWJBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-17-10-3-2-9(13(14)15)11(12-10)19(16)8-4-6-18-7-5-8/h2-3,8H,4-7H2,1H3.
What are the key properties of 6-methoxy-3-nitro-2-(oxan-4-ylsulfinyl)pyridine?
6-methoxy-3-nitro-2-(oxan-4-ylsulfinyl)pyridine has a molecular weight of 286.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-nitro-2-(oxan-4-ylsulfinyl)pyridine is sourced from PubChem (CID 135304377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).