8H-quinazolin-8-ide;rhodium

C8H5N2Rh- — CID 88955705

IUPAC8H-quinazolin-8-ide;rhodium
SMILES[Rh].[c-]1cccc2cncnc12
InChIInChI=1S/C8H5N2.Rh/c1-2-4-8-7(3-1)5-9-6-10-8;/h1-3,5-6H;/q-1;
InChIKeyKKXSHZDXQPZZKJ-UHFFFAOYSA-N
MW232.05 g/mol
LogP1.43
Rot. Bonds

About 8H-quinazolin-8-ide;rhodium

8H-quinazolin-8-ide;rhodium (PubChem CID 88955705) has the molecular formula C8H5N2Rh- and a molecular weight of 232.05 g/mol. Its IUPAC name is 8H-quinazolin-8-ide;rhodium.

Molecular Properties

Compound Name8H-quinazolin-8-ide;rhodium
PubChem CID88955705
Molecular FormulaC8H5N2Rh-
Molecular Weight232.05 g/mol
Exact Mass231.95
IUPAC Name8H-quinazolin-8-ide;rhodium
SMILES[Rh].[c-]1cccc2cncnc12
InChIInChI=1S/C8H5N2.Rh/c1-2-4-8-7(3-1)5-9-6-10-8;/h1-3,5-6H;/q-1;
InChIKeyKKXSHZDXQPZZKJ-UHFFFAOYSA-N
XLogP1.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.05
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8H-quinazolin-8-ide;rhodium?
The IUPAC name of 8H-quinazolin-8-ide;rhodium (CID 88955705) is 8H-quinazolin-8-ide;rhodium.
What is the SMILES notation for 8H-quinazolin-8-ide;rhodium?
The canonical SMILES for 8H-quinazolin-8-ide;rhodium is [Rh].[c-]1cccc2cncnc12.
What is the InChIKey of 8H-quinazolin-8-ide;rhodium?
The InChIKey is KKXSHZDXQPZZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N2.Rh/c1-2-4-8-7(3-1)5-9-6-10-8;/h1-3,5-6H;/q-1;.
What are the key properties of 8H-quinazolin-8-ide;rhodium?
8H-quinazolin-8-ide;rhodium has a molecular weight of 232.05 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8H-quinazolin-8-ide;rhodium is sourced from PubChem (CID 88955705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).