iodocopper;N-phenylpyridin-1-id-2-imine

C11H8CuIN2-2 — CID 134863765

IUPACiodocopper;N-phenylpyridin-1-id-2-imine
SMILES[Cu]I.[c-]1ccccc1/N=c1/cccc[n-]1
InChIInChI=1S/C11H8N2.Cu.HI/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;;/h1-6,8-9H;;1H/q-2;+1;/p-1
InChIKeyTUUBMWWQZPHXRM-UHFFFAOYSA-M
MW358.65 g/mol
LogP2.56
Rot. Bonds1

About iodocopper;N-phenylpyridin-1-id-2-imine

iodocopper;N-phenylpyridin-1-id-2-imine (PubChem CID 134863765) has the molecular formula C11H8CuIN2-2 and a molecular weight of 358.65 g/mol. Its IUPAC name is iodocopper;N-phenylpyridin-1-id-2-imine.

Molecular Properties

Compound Nameiodocopper;N-phenylpyridin-1-id-2-imine
PubChem CID134863765
Molecular FormulaC11H8CuIN2-2
Molecular Weight358.65 g/mol
Exact Mass357.90
IUPAC Nameiodocopper;N-phenylpyridin-1-id-2-imine
SMILES[Cu]I.[c-]1ccccc1/N=c1/cccc[n-]1
InChIInChI=1S/C11H8N2.Cu.HI/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;;/h1-6,8-9H;;1H/q-2;+1;/p-1
InChIKeyTUUBMWWQZPHXRM-UHFFFAOYSA-M
XLogP2.56
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.65
LogP ≤ 52.56
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'}

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Frequently Asked Questions

What is the IUPAC name of iodocopper;N-phenylpyridin-1-id-2-imine?
The IUPAC name of iodocopper;N-phenylpyridin-1-id-2-imine (CID 134863765) is iodocopper;N-phenylpyridin-1-id-2-imine.
What is the SMILES notation for iodocopper;N-phenylpyridin-1-id-2-imine?
The canonical SMILES for iodocopper;N-phenylpyridin-1-id-2-imine is [Cu]I.[c-]1ccccc1/N=c1/cccc[n-]1.
What is the InChIKey of iodocopper;N-phenylpyridin-1-id-2-imine?
The InChIKey is TUUBMWWQZPHXRM-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H8N2.Cu.HI/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;;/h1-6,8-9H;;1H/q-2;+1;/p-1.
What are the key properties of iodocopper;N-phenylpyridin-1-id-2-imine?
iodocopper;N-phenylpyridin-1-id-2-imine has a molecular weight of 358.65 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iodocopper;N-phenylpyridin-1-id-2-imine is sourced from PubChem (CID 134863765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).