CID 11152344

C14H12FeN6O2+2 — CID 11152344

IUPAC—
SMILES[Fe+2].[N-]=[N+]=NCC(=O)[C]1[CH][CH][CH][CH]1.[N-]=[N+]=NCC(=O)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/2C7H6N3O.Fe/c2*8-10-9-5-7(11)6-3-1-2-4-6;/h2*1-4H,5H2;/q;;+2
InChIKeyFHVXKROFEIMYGN-UHFFFAOYSA-N
MW352.14 g/mol
LogP2.54
Rot. Bonds6

About CID 11152344

CID 11152344 (PubChem CID 11152344) has the molecular formula C14H12FeN6O2+2 and a molecular weight of 352.14 g/mol.

Molecular Properties

Compound NameCID 11152344
PubChem CID11152344
Molecular FormulaC14H12FeN6O2+2
Molecular Weight352.14 g/mol
Exact Mass352.04
IUPAC Name—
SMILES[Fe+2].[N-]=[N+]=NCC(=O)[C]1[CH][CH][CH][CH]1.[N-]=[N+]=NCC(=O)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/2C7H6N3O.Fe/c2*8-10-9-5-7(11)6-3-1-2-4-6;/h2*1-4H,5H2;/q;;+2
InChIKeyFHVXKROFEIMYGN-UHFFFAOYSA-N
XLogP2.54
TPSA131.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.14
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(2-azidoacetyl)benzoic acid
CID 143075130
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CID 98883069
2-azido-1-(3,5-dibromophenyl)ethanone
CID 139225278
CID 25242014
CID 25242014
2-azido-1-(2-fluorophenyl)ethanone
CID 53416484
2-azido-1-(5-methylpyrazin-2-yl)ethanone
CID 121394732
2-azido-1-(3-ethoxythiophen-2-yl)ethanone
CID 150504144
2-azido-1-(1-hydroxynaphthalen-2-yl)ethanone
CID 53416479
2-azido-1-(5-chloro-2-methylphenyl)ethanone
CID 98883096
1-azido-3-phenylpropan-2-one
CID 14872260

Frequently Asked Questions

What is the IUPAC name of CID 11152344?
The IUPAC name of CID 11152344 (CID 11152344) is not available.
What is the SMILES notation for CID 11152344?
The canonical SMILES for CID 11152344 is [Fe+2].[N-]=[N+]=NCC(=O)[C]1[CH][CH][CH][CH]1.[N-]=[N+]=NCC(=O)[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 11152344?
The InChIKey is FHVXKROFEIMYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6N3O.Fe/c2*8-10-9-5-7(11)6-3-1-2-4-6;/h2*1-4H,5H2;/q;;+2.
What are the key properties of CID 11152344?
CID 11152344 has a molecular weight of 352.14 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11152344 is sourced from PubChem (CID 11152344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).