CID 59806643

C7H8IrN3+ — CID 59806643

IUPAC—
SMILESCn1[cH+]n2ccccc2n1.[Ir]
InChIInChI=1S/C7H8N3.Ir/c1-9-6-10-5-3-2-4-7(10)8-9;/h2-6H,1H3;/q+1;
InChIKeyMGCBXRAGBVVHKH-UHFFFAOYSA-N
MW326.38 g/mol
LogP0.95
Rot. Bonds

About CID 59806643

CID 59806643 (PubChem CID 59806643) has the molecular formula C7H8IrN3+ and a molecular weight of 326.38 g/mol.

Molecular Properties

Compound NameCID 59806643
PubChem CID59806643
Molecular FormulaC7H8IrN3+
Molecular Weight326.38 g/mol
Exact Mass327.03
IUPAC Name—
SMILESCn1[cH+]n2ccccc2n1.[Ir]
InChIInChI=1S/C7H8N3.Ir/c1-9-6-10-5-3-2-4-7(10)8-9;/h2-6H,1H3;/q+1;
InChIKeyMGCBXRAGBVVHKH-UHFFFAOYSA-N
XLogP0.95
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 CID 59806643?
The IUPAC name of CID 59806643 (CID 59806643) is not available.
What is the SMILES notation for CID 59806643?
The canonical SMILES for CID 59806643 is Cn1[cH+]n2ccccc2n1.[Ir].
What is the InChIKey of CID 59806643?
The InChIKey is MGCBXRAGBVVHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N3.Ir/c1-9-6-10-5-3-2-4-7(10)8-9;/h2-6H,1H3;/q+1;.
What are the key properties of CID 59806643?
CID 59806643 has a molecular weight of 326.38 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59806643 is sourced from PubChem (CID 59806643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).