iron;2-methoxy-1-oxidopyridin-1-ium

C6H7FeNO2 — CID 175100499

IUPACiron;2-methoxy-1-oxidopyridin-1-ium
SMILESCOc1cccc[n+]1[O-].[Fe]
InChIInChI=1S/C6H7NO2.Fe/c1-9-6-4-2-3-5-7(6)8;/h2-5H,1H3;
InChIKeyMXZLKTVRYHSGJW-UHFFFAOYSA-N
MW180.97 g/mol
LogP0.33
Rot. Bonds1

About iron;2-methoxy-1-oxidopyridin-1-ium

iron;2-methoxy-1-oxidopyridin-1-ium (PubChem CID 175100499) has the molecular formula C6H7FeNO2 and a molecular weight of 180.97 g/mol. Its IUPAC name is iron;2-methoxy-1-oxidopyridin-1-ium.

Molecular Properties

Compound Nameiron;2-methoxy-1-oxidopyridin-1-ium
PubChem CID175100499
Molecular FormulaC6H7FeNO2
Molecular Weight180.97 g/mol
Exact Mass180.98
IUPAC Nameiron;2-methoxy-1-oxidopyridin-1-ium
SMILESCOc1cccc[n+]1[O-].[Fe]
InChIInChI=1S/C6H7NO2.Fe/c1-9-6-4-2-3-5-7(6)8;/h2-5H,1H3;
InChIKeyMXZLKTVRYHSGJW-UHFFFAOYSA-N
XLogP0.33
TPSA36.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.97
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze iron;2-methoxy-1-oxidopyridin-1-ium 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

mercury(2+);2-methoxy-1-oxidopyridin-1-ium;dichloride
CID 172885243
1-oxido-2-(2,4,6-trimethylphenoxy)pyridin-1-ium
CID 140976101
2-octoxy-1-oxidopyridin-1-ium
CID 139607434
2-methoxy-1-phenylpyridin-1-ium
CID 22670943
1-(4-methoxyphenyl)-4-(1-oxidopyridin-1-ium-2-yl)oxyphthalazine
CID 99630271
2-(1-oxidopyridin-1-ium-2-yl)oxyacetonitrile
CID 131101993
2-methoxy-1-phenylpyridin-1-ium chloride
CID 22670942
2-methoxy-1-propylpyridin-1-ium
CID 175412660
2-(2-bromoprop-2-enoxy)-1-oxidopyridin-1-ium
CID 130693924
2-[(4-methoxyphenyl)methylsulfonyl]-1-oxidopyridin-1-ium
CID 501086
[dimethyl-(1-oxidopyridin-1-ium-2-yl)silyl]oxy-dimethyl-(1-oxidopyridin-1-ium-2-yl)silane
CID 14598000
2-methyl-1-oxidopyridin-1-ium;propane
CID 91172526

Frequently Asked Questions

What is the IUPAC name of iron;2-methoxy-1-oxidopyridin-1-ium?
The IUPAC name of iron;2-methoxy-1-oxidopyridin-1-ium (CID 175100499) is iron;2-methoxy-1-oxidopyridin-1-ium.
What is the SMILES notation for iron;2-methoxy-1-oxidopyridin-1-ium?
The canonical SMILES for iron;2-methoxy-1-oxidopyridin-1-ium is COc1cccc[n+]1[O-].[Fe].
What is the InChIKey of iron;2-methoxy-1-oxidopyridin-1-ium?
The InChIKey is MXZLKTVRYHSGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2.Fe/c1-9-6-4-2-3-5-7(6)8;/h2-5H,1H3;.
What are the key properties of iron;2-methoxy-1-oxidopyridin-1-ium?
iron;2-methoxy-1-oxidopyridin-1-ium has a molecular weight of 180.97 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iron;2-methoxy-1-oxidopyridin-1-ium is sourced from PubChem (CID 175100499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).