2-formylbenzoyl iodide

C8H5IO2 — CID 88830490

IUPAC2-formylbenzoyl iodide
SMILESO=Cc1ccccc1C(=O)I
InChIInChI=1S/C8H5IO2/c9-8(11)7-4-2-1-3-6(7)5-10/h1-5H
InChIKeyBVBOKUFPAHKPHU-UHFFFAOYSA-N
MW260.03 g/mol
LogP2.07
Rot. Bonds2

About 2-formylbenzoyl iodide

2-formylbenzoyl iodide (PubChem CID 88830490) has the molecular formula C8H5IO2 and a molecular weight of 260.03 g/mol. Its IUPAC name is 2-formylbenzoyl iodide.

Molecular Properties

Compound Name2-formylbenzoyl iodide
PubChem CID88830490
Molecular FormulaC8H5IO2
Molecular Weight260.03 g/mol
Exact Mass259.93
IUPAC Name2-formylbenzoyl iodide
SMILESO=Cc1ccccc1C(=O)I
InChIInChI=1S/C8H5IO2/c9-8(11)7-4-2-1-3-6(7)5-10/h1-5H
InChIKeyBVBOKUFPAHKPHU-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

2-formylbenzoic acid;methoxymethane
CID 90858085
2-formylbenzenecarbothioamide
CID 23021460
2-[7-(2-formylphenyl)-4,7-dioxoheptanoyl]benzaldehyde
CID 166643291
2-[(E)-2-amino-1-chloroethenyl]benzaldehyde
CID 143056286
3-formyl-2-iodobenzoic acid
CID 71422161
CID 158421076
CID 158421076
2,3-dibenzoylbenzaldehyde
CID 54496315
2-(3-fluorobenzoyl)benzaldehyde
CID 175472655
N-(2-bromoethyl)-2-formylbenzamide
CID 18508334
[(2-formylbenzoyl)-methylamino] thiohypofluorite
CID 155149630
2-(1,2-diphenylethenyl)benzaldehyde
CID 87999369
dihydroxy(dioxo)chromium;phthalaldehyde
CID 174903240

Frequently Asked Questions

What is the IUPAC name of 2-formylbenzoyl iodide?
The IUPAC name of 2-formylbenzoyl iodide (CID 88830490) is 2-formylbenzoyl iodide.
What is the SMILES notation for 2-formylbenzoyl iodide?
The canonical SMILES for 2-formylbenzoyl iodide is O=Cc1ccccc1C(=O)I.
What is the InChIKey of 2-formylbenzoyl iodide?
The InChIKey is BVBOKUFPAHKPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IO2/c9-8(11)7-4-2-1-3-6(7)5-10/h1-5H.
What are the key properties of 2-formylbenzoyl iodide?
2-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 2-formylbenzoyl iodide is sourced from PubChem (CID 88830490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).