iron;quinoxaline

C8H6FeN2 — CID 161047921

IUPACiron;quinoxaline
SMILES[Fe].c1ccc2nccnc2c1
InChIInChI=1S/C8H6N2.Fe/c1-2-4-8-7(3-1)9-5-6-10-8;/h1-6H;
InChIKeyUBSZSISYPQSAEO-UHFFFAOYSA-N
MW186.00 g/mol
LogP1.63
Rot. Bonds

About iron;quinoxaline

iron;quinoxaline (PubChem CID 161047921) has the molecular formula C8H6FeN2 and a molecular weight of 186.00 g/mol. Its IUPAC name is iron;quinoxaline.

Molecular Properties

Compound Nameiron;quinoxaline
PubChem CID161047921
Molecular FormulaC8H6FeN2
Molecular Weight186.00 g/mol
Exact Mass185.99
IUPAC Nameiron;quinoxaline
SMILES[Fe].c1ccc2nccnc2c1
InChIInChI=1S/C8H6N2.Fe/c1-2-4-8-7(3-1)9-5-6-10-8;/h1-6H;
InChIKeyUBSZSISYPQSAEO-UHFFFAOYSA-N
XLogP1.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.00
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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furan;quinoxaline
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aniline;quinoxaline
CID 70629272
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CID 66672759
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pyrene;quinoxaline
CID 160801316
phenol;quinoxaline;hydrate
CID 174252210
quinoxaline;5,6,7,8-tetrahydroquinoxaline
CID 158834092
(2S,3S)-2,3-dihydroxybutanedioic acid;quinoxaline
CID 175728573
1,3-benzothiazole;quinoxaline
CID 139508476

Frequently Asked Questions

What is the IUPAC name of iron;quinoxaline?
The IUPAC name of iron;quinoxaline (CID 161047921) is iron;quinoxaline.
What is the SMILES notation for iron;quinoxaline?
The canonical SMILES for iron;quinoxaline is [Fe].c1ccc2nccnc2c1.
What is the InChIKey of iron;quinoxaline?
The InChIKey is UBSZSISYPQSAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.Fe/c1-2-4-8-7(3-1)9-5-6-10-8;/h1-6H;.
What are the key properties of iron;quinoxaline?
iron;quinoxaline has a molecular weight of 186.00 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iron;quinoxaline is sourced from PubChem (CID 161047921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).