2-(1-bromo-2-oxopropyl)-5-iodobenzaldehyde

C10H8BrIO2 — CID 130938193

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

About 2-(1-bromo-2-oxopropyl)-5-iodobenzaldehyde

2-(1-bromo-2-oxopropyl)-5-iodobenzaldehyde (PubChem CID 130938193) has the molecular formula C10H8BrIO2 and a molecular weight of 366.98 g/mol. Its IUPAC name is 2-(1-bromo-2-oxopropyl)-5-iodobenzaldehyde.

Molecular Properties

Compound Name2-(1-bromo-2-oxopropyl)-5-iodobenzaldehyde
PubChem CID130938193
Molecular FormulaC10H8BrIO2
Molecular Weight366.98 g/mol
Exact Mass365.88
IUPAC Name2-(1-bromo-2-oxopropyl)-5-iodobenzaldehyde
SMILESCC(=O)C(Br)c1ccc(I)cc1C=O
InChIInChI=1S/C10H8BrIO2/c1-6(14)10(11)9-3-2-8(12)4-7(9)5-13/h2-5,10H,1H3
InChIKeyHULZYMWKBCILME-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
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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Related Compounds

1-bromo-1-(2,4-diiodophenyl)propan-2-one
CID 130766612
2-(1-bromo-2-oxopropyl)-5-ethylbenzaldehyde
CID 131555518
2-(1-bromo-2-oxopropyl)-5-(difluoromethoxy)benzaldehyde
CID 170837191
1-bromo-1-(5-iodo-2-sulfanylphenyl)propan-2-one
CID 130971495
1-bromo-1-[2-(bromomethyl)-5-iodophenyl]propan-2-one
CID 130940305
2-(2-bromopropanoyl)-5-iodobenzaldehyde
CID 130777837
2-(1-bromo-2-oxopropyl)-4-methylsulfanylbenzaldehyde
CID 131588263
4-(1-bromo-2-oxopropyl)phthalaldehyde
CID 131297119
1-bromo-1-[5-iodo-2-(trifluoromethoxy)phenyl]propan-2-one
CID 134616039
1-bromo-1-(4-fluoro-2-iodophenyl)propan-2-one
CID 130869021
1-bromo-1-(2-iodo-4-nitrophenyl)propan-2-one
CID 131279922
2-[2-(1-bromo-2-oxopropyl)-6-formylphenyl]acetic acid
CID 170837352

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-2-oxopropyl)-5-iodobenzaldehyde?
The IUPAC name of 2-(1-bromo-2-oxopropyl)-5-iodobenzaldehyde (CID 130938193) is 2-(1-bromo-2-oxopropyl)-5-iodobenzaldehyde.
What is the SMILES notation for 2-(1-bromo-2-oxopropyl)-5-iodobenzaldehyde?
The canonical SMILES for 2-(1-bromo-2-oxopropyl)-5-iodobenzaldehyde is CC(=O)C(Br)c1ccc(I)cc1C=O.
What is the InChIKey of 2-(1-bromo-2-oxopropyl)-5-iodobenzaldehyde?
The InChIKey is HULZYMWKBCILME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrIO2/c1-6(14)10(11)9-3-2-8(12)4-7(9)5-13/h2-5,10H,1H3.
What are the key properties of 2-(1-bromo-2-oxopropyl)-5-iodobenzaldehyde?
2-(1-bromo-2-oxopropyl)-5-iodobenzaldehyde has a molecular weight of 366.98 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-2-oxopropyl)-5-iodobenzaldehyde is sourced from PubChem (CID 130938193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).