iron(2+);bis(2-pyrazol-1-yl-6-(2H-tetrazol-5-yl)pyridine);bis(2-pyrazol-1-yl-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine)

C36H26FeN28 — CID 139167437

About iron(2+);bis(2-pyrazol-1-yl-6-(2H-tetrazol-5-yl)pyridine);bis(2-pyrazol-1-yl-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine)

iron(2+);bis(2-pyrazol-1-yl-6-(2H-tetrazol-5-yl)pyridine);bis(2-pyrazol-1-yl-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine) (PubChem CID 139167437) has the molecular formula C36H26FeN28 and a molecular weight of 906.65 g/mol. Its IUPAC name is iron(2+);bis(2-pyrazol-1-yl-6-(2H-tetrazol-5-yl)pyridine);bis(2-pyrazol-1-yl-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine).

Molecular Properties

• Compound Name: iron(2+);bis(2-pyrazol-1-yl-6-(2H-tetrazol-5-yl)pyridine);bis(2-pyrazol-1-yl-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine)
• PubChem CID: 139167437
• Molecular Formula: C36H26FeN28
• Molecular Weight: 906.65 g/mol
• Exact Mass: 906.22
• IUPAC Name: iron(2+);bis(2-pyrazol-1-yl-6-(2H-tetrazol-5-yl)pyridine);bis(2-pyrazol-1-yl-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine)
• SMILES: [Fe+2].c1cc(-c2nn[n-]n2)nc(-n2cccn2)c1.c1cc(-c2nn[n-]n2)nc(-n2cccn2)c1.c1cc(-c2nn[nH]n2)nc(-n2cccn2)c1.c1cc(-c2nn[nH]n2)nc(-n2cccn2)c1
• InChI: InChI=1S/2C9H7N7.2C9H6N7.Fe/c4*1-3-7(9-12-14-15-13-9)11-8(4-1)16-6-2-5-10-16;/h2*1-6H,(H,12,13,14,15);2*1-6H;/q;;2*-1;+2
• InChIKey: FRRZMYDPCUBNHK-UHFFFAOYSA-N
• XLogP: 1.05
• TPSA: 337.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	906.65
LogP ≤ 5	1.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of iron(2+);bis(2-pyrazol-1-yl-6-(2H-tetrazol-5-yl)pyridine);bis(2-pyrazol-1-yl-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine)?

The IUPAC name of iron(2+);bis(2-pyrazol-1-yl-6-(2H-tetrazol-5-yl)pyridine);bis(2-pyrazol-1-yl-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine) (CID 139167437) is iron(2+);bis(2-pyrazol-1-yl-6-(2H-tetrazol-5-yl)pyridine);bis(2-pyrazol-1-yl-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine).

What is the SMILES notation for iron(2+);bis(2-pyrazol-1-yl-6-(2H-tetrazol-5-yl)pyridine);bis(2-pyrazol-1-yl-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine)?

The canonical SMILES for iron(2+);bis(2-pyrazol-1-yl-6-(2H-tetrazol-5-yl)pyridine);bis(2-pyrazol-1-yl-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine) is [Fe+2].c1cc(-c2nn[n-]n2)nc(-n2cccn2)c1.c1cc(-c2nn[n-]n2)nc(-n2cccn2)c1.c1cc(-c2nn[nH]n2)nc(-n2cccn2)c1.c1cc(-c2nn[nH]n2)nc(-n2cccn2)c1.

What is the InChIKey of iron(2+);bis(2-pyrazol-1-yl-6-(2H-tetrazol-5-yl)pyridine);bis(2-pyrazol-1-yl-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine)?

The InChIKey is FRRZMYDPCUBNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7N7.2C9H6N7.Fe/c4*1-3-7(9-12-14-15-13-9)11-8(4-1)16-6-2-5-10-16;/h2*1-6H,(H,12,13,14,15);2*1-6H;/q;;2*-1;+2.

What are the key properties of iron(2+);bis(2-pyrazol-1-yl-6-(2H-tetrazol-5-yl)pyridine);bis(2-pyrazol-1-yl-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine)?

iron(2+);bis(2-pyrazol-1-yl-6-(2H-tetrazol-5-yl)pyridine);bis(2-pyrazol-1-yl-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine) has a molecular weight of 906.65 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for iron(2+);bis(2-pyrazol-1-yl-6-(2H-tetrazol-5-yl)pyridine);bis(2-pyrazol-1-yl-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine) is sourced from PubChem (CID 139167437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).