2,6-diiodo-4-nitrobenzaldehyde

C7H3I2NO3 — CID 21468410

IUPAC2,6-diiodo-4-nitrobenzaldehyde
SMILESO=Cc1c(I)cc([N+](=O)[O-])cc1I
InChIInChI=1S/C7H3I2NO3/c8-6-1-4(10(12)13)2-7(9)5(6)3-11/h1-3H
InChIKeyLJCJXNUNFHRMIN-UHFFFAOYSA-N
MW402.91 g/mol
LogP2.62
Rot. Bonds2

About 2,6-diiodo-4-nitrobenzaldehyde

2,6-diiodo-4-nitrobenzaldehyde (PubChem CID 21468410) has the molecular formula C7H3I2NO3 and a molecular weight of 402.91 g/mol. Its IUPAC name is 2,6-diiodo-4-nitrobenzaldehyde.

Molecular Properties

Compound Name2,6-diiodo-4-nitrobenzaldehyde
PubChem CID21468410
Molecular FormulaC7H3I2NO3
Molecular Weight402.91 g/mol
Exact Mass402.82
IUPAC Name2,6-diiodo-4-nitrobenzaldehyde
SMILESO=Cc1c(I)cc([N+](=O)[O-])cc1I
InChIInChI=1S/C7H3I2NO3/c8-6-1-4(10(12)13)2-7(9)5(6)3-11/h1-3H
InChIKeyLJCJXNUNFHRMIN-UHFFFAOYSA-N
XLogP2.62
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.91
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

2-fluoro-6-methyl-4-nitrobenzaldehyde
CID 131125676
3-iodo-5-nitrobenzaldehyde
CID 71742603
3-formyl-2-iodo-5-nitrobenzamide
CID 171016570
(2-bromo-3-iodo-5-nitrophenyl)methanamine
CID 171018681
2-fluoro-6-iodo-4-nitrophenol
CID 104506154
calcium bis(2,4,6-trinitrophenolate)
CID 517024
strontium bis(2,4,6-trinitrophenolate)
CID 90471623
3-iodo-2-methyl-5-nitrobenzenesulfonyl chloride
CID 172969412
zinc;bis(2,4,6-trinitrophenolate);nonahydrate
CID 139060204
iron(3+);tris(2,4,6-trinitrophenolate);hydrate
CID 173341190
1-iodo-2-isocyanato-3-methyl-5-nitrobenzene
CID 169353319
2-(2-formyl-6-iodo-4-nitrophenoxy)propanoic acid
CID 4763779

Frequently Asked Questions

What is the IUPAC name of 2,6-diiodo-4-nitrobenzaldehyde?
The IUPAC name of 2,6-diiodo-4-nitrobenzaldehyde (CID 21468410) is 2,6-diiodo-4-nitrobenzaldehyde.
What is the SMILES notation for 2,6-diiodo-4-nitrobenzaldehyde?
The canonical SMILES for 2,6-diiodo-4-nitrobenzaldehyde is O=Cc1c(I)cc([N+](=O)[O-])cc1I.
What is the InChIKey of 2,6-diiodo-4-nitrobenzaldehyde?
The InChIKey is LJCJXNUNFHRMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3I2NO3/c8-6-1-4(10(12)13)2-7(9)5(6)3-11/h1-3H.
What are the key properties of 2,6-diiodo-4-nitrobenzaldehyde?
2,6-diiodo-4-nitrobenzaldehyde has a molecular weight of 402.91 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diiodo-4-nitrobenzaldehyde is sourced from PubChem (CID 21468410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).