3-formylbenzoyl iodide

C8H5IO2 — CID 88830571

IUPAC3-formylbenzoyl iodide
SMILESO=Cc1cccc(C(=O)I)c1
InChIInChI=1S/C8H5IO2/c9-8(11)7-3-1-2-6(4-7)5-10/h1-5H
InChIKeyTWOCIKQIYWNCAK-UHFFFAOYSA-N
MW260.03 g/mol
LogP2.07
Rot. Bonds2

About 3-formylbenzoyl iodide

3-formylbenzoyl iodide (PubChem CID 88830571) has the molecular formula C8H5IO2 and a molecular weight of 260.03 g/mol. Its IUPAC name is 3-formylbenzoyl iodide.

Molecular Properties

Compound Name3-formylbenzoyl iodide
PubChem CID88830571
Molecular FormulaC8H5IO2
Molecular Weight260.03 g/mol
Exact Mass259.93
IUPAC Name3-formylbenzoyl iodide
SMILESO=Cc1cccc(C(=O)I)c1
InChIInChI=1S/C8H5IO2/c9-8(11)7-3-1-2-6(4-7)5-10/h1-5H
InChIKeyTWOCIKQIYWNCAK-UHFFFAOYSA-N
XLogP2.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.03
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-formylbenzoic acid;methanol
CID 142242456
3-[1-(3-formylphenyl)ethenyl]benzaldehyde
CID 86226785
3-[2-(dimethylamino)acetyl]benzaldehyde
CID 55272304
benzene-1,3-dicarbaldehyde;ethane
CID 91375977
3-[(3-acetylphenyl)-(3-formylphenyl)phosphanyl]benzaldehyde
CID 146390057
3-(1H-pyrazole-5-carbonyl)benzaldehyde
CID 142051838
4-[(3-formylbenzoyl)amino]benzoic acid
CID 90105755
[2-cyano-2-(3-formylphenyl)ethenylidene]azanide
CID 139242931
[2,3,4,5,6-pentakis[(4-formylbenzoyl)oxymethyl]phenyl]methyl 3-formylbenzoate
CID 138981671
benzene-1,3-dicarbaldehyde;carbon monoxide;chromium
CID 11161539
methyl 3-bromo-5-formylbenzoate;methyl 3-formylbenzoate
CID 175788810
4-(3-formylbenzoyl)cyclohexa-2,4-diene-1,1,2-tricarbaldehyde
CID 87548170

Frequently Asked Questions

What is the IUPAC name of 3-formylbenzoyl iodide?
The IUPAC name of 3-formylbenzoyl iodide (CID 88830571) is 3-formylbenzoyl iodide.
What is the SMILES notation for 3-formylbenzoyl iodide?
The canonical SMILES for 3-formylbenzoyl iodide is O=Cc1cccc(C(=O)I)c1.
What is the InChIKey of 3-formylbenzoyl iodide?
The InChIKey is TWOCIKQIYWNCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IO2/c9-8(11)7-3-1-2-6(4-7)5-10/h1-5H.
What are the key properties of 3-formylbenzoyl iodide?
3-formylbenzoyl iodide has a molecular weight of 260.03 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formylbenzoyl iodide is sourced from PubChem (CID 88830571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).