iron;methane;nitrobenzene

C7H9FeNO2 — CID 175081715

IUPACiron;methane;nitrobenzene
SMILESC.O=[N+]([O-])c1ccccc1.[Fe]
InChIInChI=1S/C6H5NO2.CH4.Fe/c8-7(9)6-4-2-1-3-5-6;;/h1-5H;1H4;
InChIKeyFDPWAJLNOKCVKF-UHFFFAOYSA-N
MW195.00 g/mol
LogP2.23
Rot. Bonds1

About iron;methane;nitrobenzene

iron;methane;nitrobenzene (PubChem CID 175081715) has the molecular formula C7H9FeNO2 and a molecular weight of 195.00 g/mol. Its IUPAC name is iron;methane;nitrobenzene.

Molecular Properties

Compound Nameiron;methane;nitrobenzene
PubChem CID175081715
Molecular FormulaC7H9FeNO2
Molecular Weight195.00 g/mol
Exact Mass195.00
IUPAC Nameiron;methane;nitrobenzene
SMILESC.O=[N+]([O-])c1ccccc1.[Fe]
InChIInChI=1S/C6H5NO2.CH4.Fe/c8-7(9)6-4-2-1-3-5-6;;/h1-5H;1H4;
InChIKeyFDPWAJLNOKCVKF-UHFFFAOYSA-N
XLogP2.23
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.00
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 174446919
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CID 67916702
azanium nitrobenzene
CID 22989049
carbonic acid;methane;nitrobenzene
CID 173344007
magnesium;hydride;nitrobenzene
CID 173371093
iron(3+);nitrobenzene;trichloride
CID 70503336
carbonic acid;nitrobenzene
CID 158100196
carbonic acid;nitrobenzene
CID 68662598
carbon dioxide;nitrobenzene
CID 163592574
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CID 174553859

Frequently Asked Questions

What is the IUPAC name of iron;methane;nitrobenzene?
The IUPAC name of iron;methane;nitrobenzene (CID 175081715) is iron;methane;nitrobenzene.
What is the SMILES notation for iron;methane;nitrobenzene?
The canonical SMILES for iron;methane;nitrobenzene is C.O=[N+]([O-])c1ccccc1.[Fe].
What is the InChIKey of iron;methane;nitrobenzene?
The InChIKey is FDPWAJLNOKCVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2.CH4.Fe/c8-7(9)6-4-2-1-3-5-6;;/h1-5H;1H4;.
What are the key properties of iron;methane;nitrobenzene?
iron;methane;nitrobenzene has a molecular weight of 195.00 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iron;methane;nitrobenzene is sourced from PubChem (CID 175081715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).