oxolane;2H-pyridin-2-ide;zinc;hydrobromide

C9H13BrNOZn- — CID 87924857

IUPACoxolane;2H-pyridin-2-ide;zinc;hydrobromide
SMILESBr.C1CCOC1.[Zn].[c-]1ccccn1
InChIInChI=1S/C5H4N.C4H8O.BrH.Zn/c1-2-4-6-5-3-1;1-2-4-5-3-1;;/h1-4H;1-4H2;1H;/q-1;;;
InChIKeyKRVAKOBDNRAYJQ-UHFFFAOYSA-N
MW296.50 g/mol
LogP2.25
Rot. Bonds

About oxolane;2H-pyridin-2-ide;zinc;hydrobromide

oxolane;2H-pyridin-2-ide;zinc;hydrobromide (PubChem CID 87924857) has the molecular formula C9H13BrNOZn- and a molecular weight of 296.50 g/mol. Its IUPAC name is oxolane;2H-pyridin-2-ide;zinc;hydrobromide.

Molecular Properties

Compound Nameoxolane;2H-pyridin-2-ide;zinc;hydrobromide
PubChem CID87924857
Molecular FormulaC9H13BrNOZn-
Molecular Weight296.50 g/mol
Exact Mass293.95
IUPAC Nameoxolane;2H-pyridin-2-ide;zinc;hydrobromide
SMILESBr.C1CCOC1.[Zn].[c-]1ccccn1
InChIInChI=1S/C5H4N.C4H8O.BrH.Zn/c1-2-4-6-5-3-1;1-2-4-5-3-1;;/h1-4H;1-4H2;1H;/q-1;;;
InChIKeyKRVAKOBDNRAYJQ-UHFFFAOYSA-N
XLogP2.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze oxolane;2H-pyridin-2-ide;zinc;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxolane;2H-pyridin-2-ide;zinc;hydrobromide?
The IUPAC name of oxolane;2H-pyridin-2-ide;zinc;hydrobromide (CID 87924857) is oxolane;2H-pyridin-2-ide;zinc;hydrobromide.
What is the SMILES notation for oxolane;2H-pyridin-2-ide;zinc;hydrobromide?
The canonical SMILES for oxolane;2H-pyridin-2-ide;zinc;hydrobromide is Br.C1CCOC1.[Zn].[c-]1ccccn1.
What is the InChIKey of oxolane;2H-pyridin-2-ide;zinc;hydrobromide?
The InChIKey is KRVAKOBDNRAYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N.C4H8O.BrH.Zn/c1-2-4-6-5-3-1;1-2-4-5-3-1;;/h1-4H;1-4H2;1H;/q-1;;;.
What are the key properties of oxolane;2H-pyridin-2-ide;zinc;hydrobromide?
oxolane;2H-pyridin-2-ide;zinc;hydrobromide has a molecular weight of 296.50 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;2H-pyridin-2-ide;zinc;hydrobromide is sourced from PubChem (CID 87924857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).