carbon monoxide;bis(1H-pyrazole);rhenium;bromide

C9H8BrN4O3Re- — CID 11465887

IUPACcarbon monoxide;bis(1H-pyrazole);rhenium;bromide
SMILES[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].c1cn[nH]c1.c1cn[nH]c1
InChIInChI=1S/2C3H4N2.3CO.BrH.Re/c2*1-2-4-5-3-1;3*1-2;;/h2*1-3H,(H,4,5);;;;1H;/p-1
InChIKeyLHBIWVBXLYTXIZ-UHFFFAOYSA-M
MW486.30 g/mol
LogP-2.29
Rot. Bonds

About carbon monoxide;bis(1H-pyrazole);rhenium;bromide

carbon monoxide;bis(1H-pyrazole);rhenium;bromide (PubChem CID 11465887) has the molecular formula C9H8BrN4O3Re- and a molecular weight of 486.30 g/mol. Its IUPAC name is carbon monoxide;bis(1H-pyrazole);rhenium;bromide.

Molecular Properties

Compound Namecarbon monoxide;bis(1H-pyrazole);rhenium;bromide
PubChem CID11465887
Molecular FormulaC9H8BrN4O3Re-
Molecular Weight486.30 g/mol
Exact Mass485.93
IUPAC Namecarbon monoxide;bis(1H-pyrazole);rhenium;bromide
SMILES[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].c1cn[nH]c1.c1cn[nH]c1
InChIInChI=1S/2C3H4N2.3CO.BrH.Re/c2*1-2-4-5-3-1;3*1-2;;/h2*1-3H,(H,4,5);;;;1H;/p-1
InChIKeyLHBIWVBXLYTXIZ-UHFFFAOYSA-M
XLogP-2.29
TPSA117.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.30
LogP ≤ 5-2.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;bis(1H-pyrazole);rhenium;bromide?
The IUPAC name of carbon monoxide;bis(1H-pyrazole);rhenium;bromide (CID 11465887) is carbon monoxide;bis(1H-pyrazole);rhenium;bromide.
What is the SMILES notation for carbon monoxide;bis(1H-pyrazole);rhenium;bromide?
The canonical SMILES for carbon monoxide;bis(1H-pyrazole);rhenium;bromide is [Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].c1cn[nH]c1.c1cn[nH]c1.
What is the InChIKey of carbon monoxide;bis(1H-pyrazole);rhenium;bromide?
The InChIKey is LHBIWVBXLYTXIZ-UHFFFAOYSA-M. The full InChI is InChI=1S/2C3H4N2.3CO.BrH.Re/c2*1-2-4-5-3-1;3*1-2;;/h2*1-3H,(H,4,5);;;;1H;/p-1.
What are the key properties of carbon monoxide;bis(1H-pyrazole);rhenium;bromide?
carbon monoxide;bis(1H-pyrazole);rhenium;bromide has a molecular weight of 486.30 g/mol, XLogP of -2.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;bis(1H-pyrazole);rhenium;bromide is sourced from PubChem (CID 11465887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).