bis(di(pyrazol-1-yl)boranuide);iron(2+);2-pyridin-2-ylpyridine

C22H24B2FeN10 — CID 139180280

IUPACbis(di(pyrazol-1-yl)boranuide);iron(2+);2-pyridin-2-ylpyridine
SMILES[BH2-](n1cccn1)n1cccn1.[BH2-](n1cccn1)n1cccn1.[Fe+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.2C6H8BN4.Fe/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-3-8-10(5-1)7-11-6-2-4-9-11;/h1-8H;2*1-6H,7H2;/q;2*-1;+2
InChIKeyBGZZCHGEFVYQNL-UHFFFAOYSA-N
MW505.97 g/mol
LogP1.09
Rot. Bonds5

About bis(di(pyrazol-1-yl)boranuide);iron(2+);2-pyridin-2-ylpyridine

bis(di(pyrazol-1-yl)boranuide);iron(2+);2-pyridin-2-ylpyridine (PubChem CID 139180280) has the molecular formula C22H24B2FeN10 and a molecular weight of 505.97 g/mol. Its IUPAC name is bis(di(pyrazol-1-yl)boranuide);iron(2+);2-pyridin-2-ylpyridine.

Molecular Properties

Compound Namebis(di(pyrazol-1-yl)boranuide);iron(2+);2-pyridin-2-ylpyridine
PubChem CID139180280
Molecular FormulaC22H24B2FeN10
Molecular Weight505.97 g/mol
Exact Mass506.17
IUPAC Namebis(di(pyrazol-1-yl)boranuide);iron(2+);2-pyridin-2-ylpyridine
SMILES[BH2-](n1cccn1)n1cccn1.[BH2-](n1cccn1)n1cccn1.[Fe+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.2C6H8BN4.Fe/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-3-8-10(5-1)7-11-6-2-4-9-11;/h1-8H;2*1-6H,7H2;/q;2*-1;+2
InChIKeyBGZZCHGEFVYQNL-UHFFFAOYSA-N
XLogP1.09
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.97
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

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Tris(3-pyridin-2-ylpyrazol-1-yl)borane
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Bis(3,5-dimethylpyrazol-1-ide);2-(3-fluoropyrazol-1-id-5-yl)pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57772381
2,6-Bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;iridium(3+)
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2-Pyridin-2-ylpyridine;ruthenium(1+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
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CID 58510484
CID 58510484
2-[2-Methyl-4-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
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Frequently Asked Questions

What is the IUPAC name of bis(di(pyrazol-1-yl)boranuide);iron(2+);2-pyridin-2-ylpyridine?
The IUPAC name of bis(di(pyrazol-1-yl)boranuide);iron(2+);2-pyridin-2-ylpyridine (CID 139180280) is bis(di(pyrazol-1-yl)boranuide);iron(2+);2-pyridin-2-ylpyridine.
What is the SMILES notation for bis(di(pyrazol-1-yl)boranuide);iron(2+);2-pyridin-2-ylpyridine?
The canonical SMILES for bis(di(pyrazol-1-yl)boranuide);iron(2+);2-pyridin-2-ylpyridine is [BH2-](n1cccn1)n1cccn1.[BH2-](n1cccn1)n1cccn1.[Fe+2].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(di(pyrazol-1-yl)boranuide);iron(2+);2-pyridin-2-ylpyridine?
The InChIKey is BGZZCHGEFVYQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.2C6H8BN4.Fe/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-3-8-10(5-1)7-11-6-2-4-9-11;/h1-8H;2*1-6H,7H2;/q;2*-1;+2.
What are the key properties of bis(di(pyrazol-1-yl)boranuide);iron(2+);2-pyridin-2-ylpyridine?
bis(di(pyrazol-1-yl)boranuide);iron(2+);2-pyridin-2-ylpyridine has a molecular weight of 505.97 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(di(pyrazol-1-yl)boranuide);iron(2+);2-pyridin-2-ylpyridine is sourced from PubChem (CID 139180280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).