6-hydroxy-2-iodo-3-nitrobenzaldehyde

C7H4INO4 — CID 19069473

IUPAC6-hydroxy-2-iodo-3-nitrobenzaldehyde
SMILESO=Cc1c(O)ccc([N+](=O)[O-])c1I
InChIInChI=1S/C7H4INO4/c8-7-4(3-10)6(11)2-1-5(7)9(12)13/h1-3,11H
InChIKeyFXWYNFKUKLQWHY-UHFFFAOYSA-N
MW293.02 g/mol
LogP1.72
Rot. Bonds2

About 6-hydroxy-2-iodo-3-nitrobenzaldehyde

6-hydroxy-2-iodo-3-nitrobenzaldehyde (PubChem CID 19069473) has the molecular formula C7H4INO4 and a molecular weight of 293.02 g/mol. Its IUPAC name is 6-hydroxy-2-iodo-3-nitrobenzaldehyde.

Molecular Properties

Compound Name6-hydroxy-2-iodo-3-nitrobenzaldehyde
PubChem CID19069473
Molecular FormulaC7H4INO4
Molecular Weight293.02 g/mol
Exact Mass292.92
IUPAC Name6-hydroxy-2-iodo-3-nitrobenzaldehyde
SMILESO=Cc1c(O)ccc([N+](=O)[O-])c1I
InChIInChI=1S/C7H4INO4/c8-7-4(3-10)6(11)2-1-5(7)9(12)13/h1-3,11H
InChIKeyFXWYNFKUKLQWHY-UHFFFAOYSA-N
XLogP1.72
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.02
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

6-acetyl-2-iodo-3-nitrobenzaldehyde
CID 171017070
2-chloro-3-hydroxy-6-nitrobenzaldehyde
CID 13147354
2,6-diiodo-3-nitrophenol
CID 54168708
2-(3-aminoprop-1-ynyl)-6-hydroxy-3-nitrobenzaldehyde
CID 139642532
2-formyl-6-iodo-3-nitrobenzamide
CID 171016348
4-hydroxy-3-nitrobenzaldehyde
CID 18169
4-hydroxy-3-nitrobenzaldehyde;iodomethane
CID 174399047
6-hydroxy-3-methoxy-2-nitrobenzaldehyde
CID 44614059
3-chloro-6-nitrophthalaldehyde
CID 171006758
2,6-diiodo-4-nitrobenzaldehyde
CID 21468410
2-ethenyl-3-nitrophenol
CID 10583166
2-hydroxy-4-nitro-1H-pyrrole-3-carbaldehyde
CID 135968012

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-iodo-3-nitrobenzaldehyde?
The IUPAC name of 6-hydroxy-2-iodo-3-nitrobenzaldehyde (CID 19069473) is 6-hydroxy-2-iodo-3-nitrobenzaldehyde.
What is the SMILES notation for 6-hydroxy-2-iodo-3-nitrobenzaldehyde?
The canonical SMILES for 6-hydroxy-2-iodo-3-nitrobenzaldehyde is O=Cc1c(O)ccc([N+](=O)[O-])c1I.
What is the InChIKey of 6-hydroxy-2-iodo-3-nitrobenzaldehyde?
The InChIKey is FXWYNFKUKLQWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4INO4/c8-7-4(3-10)6(11)2-1-5(7)9(12)13/h1-3,11H.
What are the key properties of 6-hydroxy-2-iodo-3-nitrobenzaldehyde?
6-hydroxy-2-iodo-3-nitrobenzaldehyde has a molecular weight of 293.02 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-iodo-3-nitrobenzaldehyde is sourced from PubChem (CID 19069473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).