2-(2-bromopropanoyl)-5-iodobenzaldehyde

C10H8BrIO2 — CID 130777837

IUPAC2-(2-bromopropanoyl)-5-iodobenzaldehyde
SMILESCC(Br)C(=O)c1ccc(I)cc1C=O
InChIInChI=1S/C10H8BrIO2/c1-6(11)10(14)9-3-2-8(12)4-7(9)5-13/h2-6H,1H3
InChIKeySJJOKDQGUXCULF-UHFFFAOYSA-N
MW366.98 g/mol
LogP3.07
Rot. Bonds3

About 2-(2-bromopropanoyl)-5-iodobenzaldehyde

2-(2-bromopropanoyl)-5-iodobenzaldehyde (PubChem CID 130777837) has the molecular formula C10H8BrIO2 and a molecular weight of 366.98 g/mol. Its IUPAC name is 2-(2-bromopropanoyl)-5-iodobenzaldehyde.

Molecular Properties

Compound Name2-(2-bromopropanoyl)-5-iodobenzaldehyde
PubChem CID130777837
Molecular FormulaC10H8BrIO2
Molecular Weight366.98 g/mol
Exact Mass365.88
IUPAC Name2-(2-bromopropanoyl)-5-iodobenzaldehyde
SMILESCC(Br)C(=O)c1ccc(I)cc1C=O
InChIInChI=1S/C10H8BrIO2/c1-6(11)10(14)9-3-2-8(12)4-7(9)5-13/h2-6H,1H3
InChIKeySJJOKDQGUXCULF-UHFFFAOYSA-N
XLogP3.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.98
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromopropanoyl)-5-iodobenzaldehyde?
The IUPAC name of 2-(2-bromopropanoyl)-5-iodobenzaldehyde (CID 130777837) is 2-(2-bromopropanoyl)-5-iodobenzaldehyde.
What is the SMILES notation for 2-(2-bromopropanoyl)-5-iodobenzaldehyde?
The canonical SMILES for 2-(2-bromopropanoyl)-5-iodobenzaldehyde is CC(Br)C(=O)c1ccc(I)cc1C=O.
What is the InChIKey of 2-(2-bromopropanoyl)-5-iodobenzaldehyde?
The InChIKey is SJJOKDQGUXCULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrIO2/c1-6(11)10(14)9-3-2-8(12)4-7(9)5-13/h2-6H,1H3.
What are the key properties of 2-(2-bromopropanoyl)-5-iodobenzaldehyde?
2-(2-bromopropanoyl)-5-iodobenzaldehyde has a molecular weight of 366.98 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromopropanoyl)-5-iodobenzaldehyde is sourced from PubChem (CID 130777837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).