dichloro(pyridin-3-yl)-λ3-iodane

C5H4Cl2IN — CID 58308214

IUPACdichloro(pyridin-3-yl)-λ3-iodane
SMILESClI(Cl)c1cccnc1
InChIInChI=1S/C5H4Cl2IN/c6-8(7)5-2-1-3-9-4-5/h1-4H
InChIKeyDDJHSTMGBVNGLJ-UHFFFAOYSA-N
MW275.90 g/mol
LogP3.07
Rot. Bonds1

About dichloro(pyridin-3-yl)-λ3-iodane

dichloro(pyridin-3-yl)-λ3-iodane (PubChem CID 58308214) has the molecular formula C5H4Cl2IN and a molecular weight of 275.90 g/mol. Its IUPAC name is dichloro(pyridin-3-yl)-λ3-iodane.

Molecular Properties

Compound Namedichloro(pyridin-3-yl)-λ3-iodane
PubChem CID58308214
Molecular FormulaC5H4Cl2IN
Molecular Weight275.90 g/mol
Exact Mass274.88
IUPAC Namedichloro(pyridin-3-yl)-λ3-iodane
SMILESClI(Cl)c1cccnc1
InChIInChI=1S/C5H4Cl2IN/c6-8(7)5-2-1-3-9-4-5/h1-4H
InChIKeyDDJHSTMGBVNGLJ-UHFFFAOYSA-N
XLogP3.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.90
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(3-methylpyridine);tetrachloroplatinum
CID 3415062
dichlorocobalt(1+);tetrakis(3-methylpyridine);chloride
CID 119057635
pyridin-3-yl hypochlorite
CID 91164948
bis(3-methylpyridine);palladium(2+);dichloride
CID 71466702
3-chloropyridine;hydroiodide
CID 173140425
bis(3-methylpyridine);platinum(2+);dichloride
CID 23341677
ethane;3-methylpyridine;hydroiodide
CID 143140941
3-chloropyridine;3-methylpyridine
CID 174960532
oxo(dipyridin-3-yl)phosphanium
CID 150603186
3-(18F)fluoropyridine
CID 24871782
pyridin-3-olate
CID 14387722
3-bromopyridine
CID 143579676

Frequently Asked Questions

What is the IUPAC name of dichloro(pyridin-3-yl)-λ3-iodane?
The IUPAC name of dichloro(pyridin-3-yl)-λ3-iodane (CID 58308214) is dichloro(pyridin-3-yl)-λ3-iodane.
What is the SMILES notation for dichloro(pyridin-3-yl)-λ3-iodane?
The canonical SMILES for dichloro(pyridin-3-yl)-λ3-iodane is ClI(Cl)c1cccnc1.
What is the InChIKey of dichloro(pyridin-3-yl)-λ3-iodane?
The InChIKey is DDJHSTMGBVNGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2IN/c6-8(7)5-2-1-3-9-4-5/h1-4H.
What are the key properties of dichloro(pyridin-3-yl)-λ3-iodane?
dichloro(pyridin-3-yl)-λ3-iodane has a molecular weight of 275.90 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(pyridin-3-yl)-λ3-iodane is sourced from PubChem (CID 58308214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).