5-fluoro-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium

C11H6FIrN2- — CID 58517721

IUPAC5-fluoro-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium
SMILESFc1cc2ccc[c-]c2c2nccn12.[Ir]
InChIInChI=1S/C11H6FN2.Ir/c12-10-7-8-3-1-2-4-9(8)11-13-5-6-14(10)11;/h1-3,5-7H;/q-1;
InChIKeyOWJGVMAENIZPPK-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.42
Rot. Bonds

About 5-fluoro-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium

5-fluoro-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium (PubChem CID 58517721) has the molecular formula C11H6FIrN2- and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-fluoro-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium.

Molecular Properties

Compound Name5-fluoro-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium
PubChem CID58517721
Molecular FormulaC11H6FIrN2-
Molecular Weight377.40 g/mol
Exact Mass378.01
IUPAC Name5-fluoro-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium
SMILESFc1cc2ccc[c-]c2c2nccn12.[Ir]
InChIInChI=1S/C11H6FN2.Ir/c12-10-7-8-3-1-2-4-9(8)11-13-5-6-14(10)11;/h1-3,5-7H;/q-1;
InChIKeyOWJGVMAENIZPPK-UHFFFAOYSA-N
XLogP2.42
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

Iridium;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole
CID 58202901
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]-1-methylimidazole;iridium
CID 58769473
Iridium;1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole
CID 59005808
2-[(3E)-4-fluoro-3-(1-fluoroethenyl)hexa-3,5-dien-2-yl]-1-methylimidazole
CID 143913734
7-ethenyl-5H-pyrrolo[1,2-a]imidazole
CID 91332711
5-(1-methylimidazol-2-yl)-2H-benzimidazole
CID 134947084
2-[2,4-Difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-1-methylimidazole
CID 102401857
2-[(3E,5Z)-3-fluoro-7-methylnona-1,3,5-trien-2-yl]-1-methylimidazole
CID 142149368
1-[(3-Ethyl-5-fluorocyclohexa-1,3-dien-1-yl)methyl]imidazole
CID 144457020
1-(Cyclohepta-1,3,5-trien-1-ylmethyl)imidazole
CID 12899030
7-Methyl-5,6-dihydroimidazo[1,2-a]pyridine
CID 21040101
1-(Cyclohexa-1,5-dien-1-ylmethyl)imidazole
CID 21950680

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium?
The IUPAC name of 5-fluoro-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium (CID 58517721) is 5-fluoro-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium.
What is the SMILES notation for 5-fluoro-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium?
The canonical SMILES for 5-fluoro-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium is Fc1cc2ccc[c-]c2c2nccn12.[Ir].
What is the InChIKey of 5-fluoro-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium?
The InChIKey is OWJGVMAENIZPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN2.Ir/c12-10-7-8-3-1-2-4-9(8)11-13-5-6-14(10)11;/h1-3,5-7H;/q-1;.
What are the key properties of 5-fluoro-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium?
5-fluoro-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium has a molecular weight of 377.40 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium is sourced from PubChem (CID 58517721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).