zinc bis(2-pyrrol-1-id-2-ylpyridine)

C18H14N4Zn — CID 139181140

IUPACzinc bis(2-pyrrol-1-id-2-ylpyridine)
SMILES[Zn+2].c1ccc(-c2ccc[n-]2)nc1.c1ccc(-c2ccc[n-]2)nc1
InChIInChI=1S/2C9H7N2.Zn/c2*1-2-6-10-8(4-1)9-5-3-7-11-9;/h2*1-7H;/q2*-1;+2
InChIKeyOGEXBCBQLFVJNY-UHFFFAOYSA-N
MW351.73 g/mol
LogP3.41
Rot. Bonds2

About zinc bis(2-pyrrol-1-id-2-ylpyridine)

zinc bis(2-pyrrol-1-id-2-ylpyridine) (PubChem CID 139181140) has the molecular formula C18H14N4Zn and a molecular weight of 351.73 g/mol. Its IUPAC name is zinc bis(2-pyrrol-1-id-2-ylpyridine).

Molecular Properties

Compound Namezinc bis(2-pyrrol-1-id-2-ylpyridine)
PubChem CID139181140
Molecular FormulaC18H14N4Zn
Molecular Weight351.73 g/mol
Exact Mass350.05
IUPAC Namezinc bis(2-pyrrol-1-id-2-ylpyridine)
SMILES[Zn+2].c1ccc(-c2ccc[n-]2)nc1.c1ccc(-c2ccc[n-]2)nc1
InChIInChI=1S/2C9H7N2.Zn/c2*1-2-6-10-8(4-1)9-5-3-7-11-9;/h2*1-7H;/q2*-1;+2
InChIKeyOGEXBCBQLFVJNY-UHFFFAOYSA-N
XLogP3.41
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.73
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc bis(2-pyrrol-1-id-2-ylpyridine)?
The IUPAC name of zinc bis(2-pyrrol-1-id-2-ylpyridine) (CID 139181140) is zinc bis(2-pyrrol-1-id-2-ylpyridine).
What is the SMILES notation for zinc bis(2-pyrrol-1-id-2-ylpyridine)?
The canonical SMILES for zinc bis(2-pyrrol-1-id-2-ylpyridine) is [Zn+2].c1ccc(-c2ccc[n-]2)nc1.c1ccc(-c2ccc[n-]2)nc1.
What is the InChIKey of zinc bis(2-pyrrol-1-id-2-ylpyridine)?
The InChIKey is OGEXBCBQLFVJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7N2.Zn/c2*1-2-6-10-8(4-1)9-5-3-7-11-9;/h2*1-7H;/q2*-1;+2.
What are the key properties of zinc bis(2-pyrrol-1-id-2-ylpyridine)?
zinc bis(2-pyrrol-1-id-2-ylpyridine) has a molecular weight of 351.73 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(2-pyrrol-1-id-2-ylpyridine) is sourced from PubChem (CID 139181140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).