2-(2-hydroxypropanoyl)-3-iodobenzaldehyde

C10H9IO3 — CID 90214300

IUPAC2-(2-hydroxypropanoyl)-3-iodobenzaldehyde
SMILESCC(O)C(=O)c1c(I)cccc1C=O
InChIInChI=1S/C10H9IO3/c1-6(13)10(14)9-7(5-12)3-2-4-8(9)11/h2-6,13H,1H3
InChIKeyQAIVKVGPZGUCMP-UHFFFAOYSA-N
MW304.08 g/mol
LogP1.67
Rot. Bonds3

About 2-(2-hydroxypropanoyl)-3-iodobenzaldehyde

2-(2-hydroxypropanoyl)-3-iodobenzaldehyde (PubChem CID 90214300) has the molecular formula C10H9IO3 and a molecular weight of 304.08 g/mol. Its IUPAC name is 2-(2-hydroxypropanoyl)-3-iodobenzaldehyde.

Molecular Properties

Compound Name2-(2-hydroxypropanoyl)-3-iodobenzaldehyde
PubChem CID90214300
Molecular FormulaC10H9IO3
Molecular Weight304.08 g/mol
Exact Mass303.96
IUPAC Name2-(2-hydroxypropanoyl)-3-iodobenzaldehyde
SMILESCC(O)C(=O)c1c(I)cccc1C=O
InChIInChI=1S/C10H9IO3/c1-6(13)10(14)9-7(5-12)3-2-4-8(9)11/h2-6,13H,1H3
InChIKeyQAIVKVGPZGUCMP-UHFFFAOYSA-N
XLogP1.67
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.08
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-formyl-6-iodobenzoate
CID 133057858
3-bromo-2-(2-chloropropanoyl)benzaldehyde
CID 130781799
2-(3-formyl-2-propanoylphenyl)-2-hydroxyacetic acid
CID 134657170
methyl 2-formyl-6-methoxybenzoate
CID 12730360
2-acetyl-3-(difluoromethoxy)benzaldehyde
CID 170996257
2-bromo-1-(2-iodo-6-methylsulfanylphenyl)propan-1-one
CID 130953323
2-iodo-3-(1-oxopropan-2-yl)benzaldehyde
CID 134640100
3-acetyl-2-hydroxybenzaldehyde
CID 10975813
3-hydroxy-2-propan-2-ylbenzaldehyde
CID 22259582
2-(2-bromopropanoyl)-5-iodobenzaldehyde
CID 130777837
2-iodo-6-methyl-N-propan-2-ylbenzamide
CID 162534014
2-[2-(2-methylpropanoyl)phenyl]benzaldehyde
CID 174491970

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropanoyl)-3-iodobenzaldehyde?
The IUPAC name of 2-(2-hydroxypropanoyl)-3-iodobenzaldehyde (CID 90214300) is 2-(2-hydroxypropanoyl)-3-iodobenzaldehyde.
What is the SMILES notation for 2-(2-hydroxypropanoyl)-3-iodobenzaldehyde?
The canonical SMILES for 2-(2-hydroxypropanoyl)-3-iodobenzaldehyde is CC(O)C(=O)c1c(I)cccc1C=O.
What is the InChIKey of 2-(2-hydroxypropanoyl)-3-iodobenzaldehyde?
The InChIKey is QAIVKVGPZGUCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IO3/c1-6(13)10(14)9-7(5-12)3-2-4-8(9)11/h2-6,13H,1H3.
What are the key properties of 2-(2-hydroxypropanoyl)-3-iodobenzaldehyde?
2-(2-hydroxypropanoyl)-3-iodobenzaldehyde has a molecular weight of 304.08 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropanoyl)-3-iodobenzaldehyde is sourced from PubChem (CID 90214300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).