2,6-diiodo-3-nitrophenol

C6H3I2NO3 — CID 54168708

IUPAC2,6-diiodo-3-nitrophenol
SMILESO=[N+]([O-])c1ccc(I)c(O)c1I
InChIInChI=1S/C6H3I2NO3/c7-3-1-2-4(9(11)12)5(8)6(3)10/h1-2,10H
InChIKeyOTMOIASTWBXRAV-UHFFFAOYSA-N
MW390.90 g/mol
LogP2.51
Rot. Bonds1

About 2,6-diiodo-3-nitrophenol

2,6-diiodo-3-nitrophenol (PubChem CID 54168708) has the molecular formula C6H3I2NO3 and a molecular weight of 390.90 g/mol. Its IUPAC name is 2,6-diiodo-3-nitrophenol.

Molecular Properties

Compound Name2,6-diiodo-3-nitrophenol
PubChem CID54168708
Molecular FormulaC6H3I2NO3
Molecular Weight390.90 g/mol
Exact Mass390.82
IUPAC Name2,6-diiodo-3-nitrophenol
SMILESO=[N+]([O-])c1ccc(I)c(O)c1I
InChIInChI=1S/C6H3I2NO3/c7-3-1-2-4(9(11)12)5(8)6(3)10/h1-2,10H
InChIKeyOTMOIASTWBXRAV-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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Related Compounds

6-hydroxy-2-iodo-3-nitrobenzaldehyde
CID 19069473
3-fluoro-2,6-diiodo-4-nitrophenol
CID 118612807
2,4-dinitrobenzene-1,3-diol;iron(2+)
CID 88924073
1-chloro-3-iodo-2,4-dinitrobenzene
CID 87721724
6-fluoro-2-iodo-3-nitrobenzoic acid
CID 131545530
3-bromo-1-iodo-2-methyl-4-nitrobenzene
CID 70549188
2,4,6-trinitrobenzene-1,3-diol
CID 20534541
3-methyl-6-nitrobenzene-1,2-diol
CID 45121162
2-chloro-3-iodo-6-nitrobenzamide
CID 171004630
2-bromo-4-nitrobenzene-1,3-diol
CID 86810433
3-chloro-4-nitrobenzene-1,2-diol
CID 68960315
2-iodo-1,3,4,5-tetranitrobenzene
CID 13333982

Frequently Asked Questions

What is the IUPAC name of 2,6-diiodo-3-nitrophenol?
The IUPAC name of 2,6-diiodo-3-nitrophenol (CID 54168708) is 2,6-diiodo-3-nitrophenol.
What is the SMILES notation for 2,6-diiodo-3-nitrophenol?
The canonical SMILES for 2,6-diiodo-3-nitrophenol is O=[N+]([O-])c1ccc(I)c(O)c1I.
What is the InChIKey of 2,6-diiodo-3-nitrophenol?
The InChIKey is OTMOIASTWBXRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3I2NO3/c7-3-1-2-4(9(11)12)5(8)6(3)10/h1-2,10H.
What are the key properties of 2,6-diiodo-3-nitrophenol?
2,6-diiodo-3-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-3-nitrophenol is sourced from PubChem (CID 54168708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).