diiminoiron;2H-pyridin-2-ide

C5H6FeN3- — CID 18474454

IUPACdiiminoiron;2H-pyridin-2-ide
SMILESN=[Fe]=N.[c-]1ccccn1
InChIInChI=1S/C5H4N.Fe.2HN/c1-2-4-6-5-3-1;;;/h1-4H;;2*1H/q-1;;;
InChIKeyHDMOQHIDJDZDMX-UHFFFAOYSA-N
MW163.97 g/mol
LogP1.48
Rot. Bonds

About diiminoiron;2H-pyridin-2-ide

diiminoiron;2H-pyridin-2-ide (PubChem CID 18474454) has the molecular formula C5H6FeN3- and a molecular weight of 163.97 g/mol. Its IUPAC name is diiminoiron;2H-pyridin-2-ide.

Molecular Properties

Compound Namediiminoiron;2H-pyridin-2-ide
PubChem CID18474454
Molecular FormulaC5H6FeN3-
Molecular Weight163.97 g/mol
Exact Mass163.99
IUPAC Namediiminoiron;2H-pyridin-2-ide
SMILESN=[Fe]=N.[c-]1ccccn1
InChIInChI=1S/C5H4N.Fe.2HN/c1-2-4-6-5-3-1;;;/h1-4H;;2*1H/q-1;;;
InChIKeyHDMOQHIDJDZDMX-UHFFFAOYSA-N
XLogP1.48
TPSA60.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.97
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Pyridyl zinc bromide
CID 6414715
2-Pyridylmagnesium bromide
CID 10888579
2-Pyridyllithium
CID 12327865
Lithium pyridin-4-ide
CID 13014695
Potassium pyridin-4-ide
CID 71428983
Pyridylcopper
CID 12761937
Chlorozinc(1+) pyridin-2-ide
CID 12931150
Dipyridyleisen
CID 23320384
4H-pyridin-4-ide;yttrium
CID 57725523
Magnesium chloride pyridin-2-ide (1/1/1)
CID 58028202
2H-pyridin-2-ide;yttrium
CID 59895592
Pyridinezinc chloride
CID 59963561

Frequently Asked Questions

What is the IUPAC name of diiminoiron;2H-pyridin-2-ide?
The IUPAC name of diiminoiron;2H-pyridin-2-ide (CID 18474454) is diiminoiron;2H-pyridin-2-ide.
What is the SMILES notation for diiminoiron;2H-pyridin-2-ide?
The canonical SMILES for diiminoiron;2H-pyridin-2-ide is N=[Fe]=N.[c-]1ccccn1.
What is the InChIKey of diiminoiron;2H-pyridin-2-ide?
The InChIKey is HDMOQHIDJDZDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N.Fe.2HN/c1-2-4-6-5-3-1;;;/h1-4H;;2*1H/q-1;;;.
What are the key properties of diiminoiron;2H-pyridin-2-ide?
diiminoiron;2H-pyridin-2-ide has a molecular weight of 163.97 g/mol, XLogP of 1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diiminoiron;2H-pyridin-2-ide is sourced from PubChem (CID 18474454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).