benzene;copper;2-ethenylpyridine;phosphane;hydroiodide

C19H20CuINP-3 — CID 87569289

IUPACbenzene;copper;2-ethenylpyridine;phosphane;hydroiodide
SMILESC=[C-]c1ccccn1.I.P.[Cu].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/C7H6N.2C6H5.Cu.HI.H3P/c1-2-7-5-3-4-6-8-7;2*1-2-4-6-5-3-1;;;/h3-6H,1H2;2*1-5H;;1H;1H3/q3*-1;;;
InChIKeyQPDIBRRQLCHITK-UHFFFAOYSA-N
MW483.80 g/mol
LogP5.07
Rot. Bonds1

About benzene;copper;2-ethenylpyridine;phosphane;hydroiodide

benzene;copper;2-ethenylpyridine;phosphane;hydroiodide (PubChem CID 87569289) has the molecular formula C19H20CuINP-3 and a molecular weight of 483.80 g/mol. Its IUPAC name is benzene;copper;2-ethenylpyridine;phosphane;hydroiodide.

Molecular Properties

Compound Namebenzene;copper;2-ethenylpyridine;phosphane;hydroiodide
PubChem CID87569289
Molecular FormulaC19H20CuINP-3
Molecular Weight483.80 g/mol
Exact Mass482.97
IUPAC Namebenzene;copper;2-ethenylpyridine;phosphane;hydroiodide
SMILESC=[C-]c1ccccn1.I.P.[Cu].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/C7H6N.2C6H5.Cu.HI.H3P/c1-2-7-5-3-4-6-8-7;2*1-2-4-6-5-3-1;;;/h3-6H,1H2;2*1-5H;;1H;1H3/q3*-1;;;
InChIKeyQPDIBRRQLCHITK-UHFFFAOYSA-N
XLogP5.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.80
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzene;copper;2-ethenylpyridine;phosphane;hydroiodide?
The IUPAC name of benzene;copper;2-ethenylpyridine;phosphane;hydroiodide (CID 87569289) is benzene;copper;2-ethenylpyridine;phosphane;hydroiodide.
What is the SMILES notation for benzene;copper;2-ethenylpyridine;phosphane;hydroiodide?
The canonical SMILES for benzene;copper;2-ethenylpyridine;phosphane;hydroiodide is C=[C-]c1ccccn1.I.P.[Cu].[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of benzene;copper;2-ethenylpyridine;phosphane;hydroiodide?
The InChIKey is QPDIBRRQLCHITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N.2C6H5.Cu.HI.H3P/c1-2-7-5-3-4-6-8-7;2*1-2-4-6-5-3-1;;;/h3-6H,1H2;2*1-5H;;1H;1H3/q3*-1;;;.
What are the key properties of benzene;copper;2-ethenylpyridine;phosphane;hydroiodide?
benzene;copper;2-ethenylpyridine;phosphane;hydroiodide has a molecular weight of 483.80 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;copper;2-ethenylpyridine;phosphane;hydroiodide is sourced from PubChem (CID 87569289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).