1-(7H-1-benzofuran-7-id-6-yl)pyrazole;iridium

C11H7IrN2O- — CID 59858931

IUPAC1-(7H-1-benzofuran-7-id-6-yl)pyrazole;iridium
SMILES[Ir].[c-]1c(-n2cccn2)ccc2ccoc12
InChIInChI=1S/C11H7N2O.Ir/c1-5-12-13(6-1)10-3-2-9-4-7-14-11(9)8-10;/h1-7H;/q-1;
InChIKeyIIVKKZYJEWCTHM-UHFFFAOYSA-N
MW375.41 g/mol
LogP2.42
Rot. Bonds1

About 1-(7H-1-benzofuran-7-id-6-yl)pyrazole;iridium

1-(7H-1-benzofuran-7-id-6-yl)pyrazole;iridium (PubChem CID 59858931) has the molecular formula C11H7IrN2O- and a molecular weight of 375.41 g/mol. Its IUPAC name is 1-(7H-1-benzofuran-7-id-6-yl)pyrazole;iridium.

Molecular Properties

Compound Name1-(7H-1-benzofuran-7-id-6-yl)pyrazole;iridium
PubChem CID59858931
Molecular FormulaC11H7IrN2O-
Molecular Weight375.41 g/mol
Exact Mass376.02
IUPAC Name1-(7H-1-benzofuran-7-id-6-yl)pyrazole;iridium
SMILES[Ir].[c-]1c(-n2cccn2)ccc2ccoc12
InChIInChI=1S/C11H7N2O.Ir/c1-5-12-13(6-1)10-3-2-9-4-7-14-11(9)8-10;/h1-7H;/q-1;
InChIKeyIIVKKZYJEWCTHM-UHFFFAOYSA-N
XLogP2.42
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 52.42
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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Related Compounds

diphenyl-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)silane;platinum(2+)
CID 58704230
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CID 58704277
4-phenyl-2,6-di(pyrazol-1-yl)pyridine
CID 123601747
iridium;6-phenylpyridine-2-carboxylic acid;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole
CID 58898340
cobalt;2,6-di(pyrazol-1-yl)pyridine
CID 175285024
2-pyrazol-1-ylpyrimidin-4-amine;hydrate;dihydrochloride
CID 175006544
4,6-di(carbazol-9-yl)-N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrimidin-2-amine;platinum(2+)
CID 177080361
1-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyrazole;iridium(3+)
CID 162483831
2-isocyano-3,3-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)prop-2-enenitrile;platinum(2+)
CID 58704401
2,6-di(pyrazol-1-yl)pyridine;ethane
CID 144724019
2,6-di(pyrazol-1-yl)pyridine;ethane
CID 161004059
sodium 3-chloro-2-pyrazol-1-ylpyridine-4-thiolate
CID 164860279

Frequently Asked Questions

What is the IUPAC name of 1-(7H-1-benzofuran-7-id-6-yl)pyrazole;iridium?
The IUPAC name of 1-(7H-1-benzofuran-7-id-6-yl)pyrazole;iridium (CID 59858931) is 1-(7H-1-benzofuran-7-id-6-yl)pyrazole;iridium.
What is the SMILES notation for 1-(7H-1-benzofuran-7-id-6-yl)pyrazole;iridium?
The canonical SMILES for 1-(7H-1-benzofuran-7-id-6-yl)pyrazole;iridium is [Ir].[c-]1c(-n2cccn2)ccc2ccoc12.
What is the InChIKey of 1-(7H-1-benzofuran-7-id-6-yl)pyrazole;iridium?
The InChIKey is IIVKKZYJEWCTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N2O.Ir/c1-5-12-13(6-1)10-3-2-9-4-7-14-11(9)8-10;/h1-7H;/q-1;.
What are the key properties of 1-(7H-1-benzofuran-7-id-6-yl)pyrazole;iridium?
1-(7H-1-benzofuran-7-id-6-yl)pyrazole;iridium has a molecular weight of 375.41 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7H-1-benzofuran-7-id-6-yl)pyrazole;iridium is sourced from PubChem (CID 59858931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).