iron;10H-1,10-phenanthrolin-4a-amine

C12H11FeN3 — CID 67802010

IUPACiron;10H-1,10-phenanthrolin-4a-amine
SMILESNC12C=CC=NC1=C1NC=CC=C1C=C2.[Fe]
InChIInChI=1S/C12H11N3.Fe/c13-12-5-2-8-15-11(12)10-9(4-6-12)3-1-7-14-10;/h1-8,14H,13H2;
InChIKeyXXJZAKOVWKYBHP-UHFFFAOYSA-N
MW253.09 g/mol
LogP1.15
Rot. Bonds

About iron;10H-1,10-phenanthrolin-4a-amine

iron;10H-1,10-phenanthrolin-4a-amine (PubChem CID 67802010) has the molecular formula C12H11FeN3 and a molecular weight of 253.09 g/mol. Its IUPAC name is iron;10H-1,10-phenanthrolin-4a-amine.

Molecular Properties

Compound Nameiron;10H-1,10-phenanthrolin-4a-amine
PubChem CID67802010
Molecular FormulaC12H11FeN3
Molecular Weight253.09 g/mol
Exact Mass253.03
IUPAC Nameiron;10H-1,10-phenanthrolin-4a-amine
SMILESNC12C=CC=NC1=C1NC=CC=C1C=C2.[Fe]
InChIInChI=1S/C12H11N3.Fe/c13-12-5-2-8-15-11(12)10-9(4-6-12)3-1-7-14-10;/h1-8,14H,13H2;
InChIKeyXXJZAKOVWKYBHP-UHFFFAOYSA-N
XLogP1.15
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iron;10H-1,10-phenanthrolin-4a-amine?
The IUPAC name of iron;10H-1,10-phenanthrolin-4a-amine (CID 67802010) is iron;10H-1,10-phenanthrolin-4a-amine.
What is the SMILES notation for iron;10H-1,10-phenanthrolin-4a-amine?
The canonical SMILES for iron;10H-1,10-phenanthrolin-4a-amine is NC12C=CC=NC1=C1NC=CC=C1C=C2.[Fe].
What is the InChIKey of iron;10H-1,10-phenanthrolin-4a-amine?
The InChIKey is XXJZAKOVWKYBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3.Fe/c13-12-5-2-8-15-11(12)10-9(4-6-12)3-1-7-14-10;/h1-8,14H,13H2;.
What are the key properties of iron;10H-1,10-phenanthrolin-4a-amine?
iron;10H-1,10-phenanthrolin-4a-amine has a molecular weight of 253.09 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iron;10H-1,10-phenanthrolin-4a-amine is sourced from PubChem (CID 67802010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).