2,6-diiodo-4-nitrophenol

C6H3I2NO3 — CID 9370

IUPAC2,6-diiodo-4-nitrophenol
SMILESO=[N+]([O-])c1cc(I)c(O)c(I)c1
InChIInChI=1S/C6H3I2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H
InChIKeyUVGTXNPVQOQFQW-UHFFFAOYSA-N
MW390.90 g/mol
LogP2.51
Rot. Bonds1

About 2,6-diiodo-4-nitrophenol

2,6-diiodo-4-nitrophenol (PubChem CID 9370) has the molecular formula C6H3I2NO3 and a molecular weight of 390.90 g/mol. Its IUPAC name is 2,6-diiodo-4-nitrophenol.

Molecular Properties

Compound Name2,6-diiodo-4-nitrophenol
PubChem CID9370
Molecular FormulaC6H3I2NO3
Molecular Weight390.90 g/mol
Exact Mass390.82
IUPAC Name2,6-diiodo-4-nitrophenol
SMILESO=[N+]([O-])c1cc(I)c(O)c(I)c1
InChIInChI=1S/C6H3I2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H
InChIKeyUVGTXNPVQOQFQW-UHFFFAOYSA-N
XLogP2.51
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.90
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-diiodo-4-nitrophenol?
The IUPAC name of 2,6-diiodo-4-nitrophenol (CID 9370) is 2,6-diiodo-4-nitrophenol.
What is the SMILES notation for 2,6-diiodo-4-nitrophenol?
The canonical SMILES for 2,6-diiodo-4-nitrophenol is O=[N+]([O-])c1cc(I)c(O)c(I)c1.
What is the InChIKey of 2,6-diiodo-4-nitrophenol?
The InChIKey is UVGTXNPVQOQFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3I2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H.
What are the key properties of 2,6-diiodo-4-nitrophenol?
2,6-diiodo-4-nitrophenol has a molecular weight of 390.90 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diiodo-4-nitrophenol is sourced from PubChem (CID 9370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).