bis(2,4-dichloro-6-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate);iron(2+)

C36H20Cl4FeN6O2 — CID 139181539

IUPACbis(2,4-dichloro-6-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate);iron(2+)
SMILES[Fe+2].[O-]c1c(Cl)cc(Cl)cc1-c1nc(-c2ccccn2)c2ccccn12.[O-]c1c(Cl)cc(Cl)cc1-c1nc(-c2ccccn2)c2ccccn12
InChIInChI=1S/2C18H11Cl2N3O.Fe/c2*19-11-9-12(17(24)13(20)10-11)18-22-16(14-5-1-3-7-21-14)15-6-2-4-8-23(15)18;/h2*1-10,24H;/q;;+2/p-2
InChIKeyGUPSPLWJYDKYKB-UHFFFAOYSA-L
MW766.25 g/mol
LogP8.88
Rot. Bonds4

About bis(2,4-dichloro-6-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate);iron(2+)

bis(2,4-dichloro-6-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate);iron(2+) (PubChem CID 139181539) has the molecular formula C36H20Cl4FeN6O2 and a molecular weight of 766.25 g/mol. Its IUPAC name is bis(2,4-dichloro-6-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate);iron(2+).

Molecular Properties

Compound Namebis(2,4-dichloro-6-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate);iron(2+)
PubChem CID139181539
Molecular FormulaC36H20Cl4FeN6O2
Molecular Weight766.25 g/mol
Exact Mass763.98
IUPAC Namebis(2,4-dichloro-6-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate);iron(2+)
SMILES[Fe+2].[O-]c1c(Cl)cc(Cl)cc1-c1nc(-c2ccccn2)c2ccccn12.[O-]c1c(Cl)cc(Cl)cc1-c1nc(-c2ccccn2)c2ccccn12
InChIInChI=1S/2C18H11Cl2N3O.Fe/c2*19-11-9-12(17(24)13(20)10-11)18-22-16(14-5-1-3-7-21-14)15-6-2-4-8-23(15)18;/h2*1-10,24H;/q;;+2/p-2
InChIKeyGUPSPLWJYDKYKB-UHFFFAOYSA-L
XLogP8.88
TPSA106.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.25
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Cobalt(2+);bis(5-(diethylamino)-2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate)
CID 139181540

Frequently Asked Questions

What is the IUPAC name of bis(2,4-dichloro-6-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate);iron(2+)?
The IUPAC name of bis(2,4-dichloro-6-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate);iron(2+) (CID 139181539) is bis(2,4-dichloro-6-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate);iron(2+).
What is the SMILES notation for bis(2,4-dichloro-6-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate);iron(2+)?
The canonical SMILES for bis(2,4-dichloro-6-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate);iron(2+) is [Fe+2].[O-]c1c(Cl)cc(Cl)cc1-c1nc(-c2ccccn2)c2ccccn12.[O-]c1c(Cl)cc(Cl)cc1-c1nc(-c2ccccn2)c2ccccn12.
What is the InChIKey of bis(2,4-dichloro-6-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate);iron(2+)?
The InChIKey is GUPSPLWJYDKYKB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H11Cl2N3O.Fe/c2*19-11-9-12(17(24)13(20)10-11)18-22-16(14-5-1-3-7-21-14)15-6-2-4-8-23(15)18;/h2*1-10,24H;/q;;+2/p-2.
What are the key properties of bis(2,4-dichloro-6-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate);iron(2+)?
bis(2,4-dichloro-6-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate);iron(2+) has a molecular weight of 766.25 g/mol, XLogP of 8.88, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dichloro-6-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate);iron(2+) is sourced from PubChem (CID 139181539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).