2-bromo-5-(2-bromopropanoyl)benzaldehyde

C10H8Br2O2 — CID 130894877

IUPAC2-bromo-5-(2-bromopropanoyl)benzaldehyde
SMILESCC(Br)C(=O)c1ccc(Br)c(C=O)c1
InChIInChI=1S/C10H8Br2O2/c1-6(11)10(14)7-2-3-9(12)8(4-7)5-13/h2-6H,1H3
InChIKeyVQIPXKCNOILQTI-UHFFFAOYSA-N
MW319.98 g/mol
LogP3.23
Rot. Bonds3

About 2-bromo-5-(2-bromopropanoyl)benzaldehyde

2-bromo-5-(2-bromopropanoyl)benzaldehyde (PubChem CID 130894877) has the molecular formula C10H8Br2O2 and a molecular weight of 319.98 g/mol. Its IUPAC name is 2-bromo-5-(2-bromopropanoyl)benzaldehyde.

Molecular Properties

Compound Name2-bromo-5-(2-bromopropanoyl)benzaldehyde
PubChem CID130894877
Molecular FormulaC10H8Br2O2
Molecular Weight319.98 g/mol
Exact Mass317.89
IUPAC Name2-bromo-5-(2-bromopropanoyl)benzaldehyde
SMILESCC(Br)C(=O)c1ccc(Br)c(C=O)c1
InChIInChI=1S/C10H8Br2O2/c1-6(11)10(14)7-2-3-9(12)8(4-7)5-13/h2-6H,1H3
InChIKeyVQIPXKCNOILQTI-UHFFFAOYSA-N
XLogP3.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.98
LogP ≤ 53.23
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-bromopropanoyl)benzaldehyde?
The IUPAC name of 2-bromo-5-(2-bromopropanoyl)benzaldehyde (CID 130894877) is 2-bromo-5-(2-bromopropanoyl)benzaldehyde.
What is the SMILES notation for 2-bromo-5-(2-bromopropanoyl)benzaldehyde?
The canonical SMILES for 2-bromo-5-(2-bromopropanoyl)benzaldehyde is CC(Br)C(=O)c1ccc(Br)c(C=O)c1.
What is the InChIKey of 2-bromo-5-(2-bromopropanoyl)benzaldehyde?
The InChIKey is VQIPXKCNOILQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2O2/c1-6(11)10(14)7-2-3-9(12)8(4-7)5-13/h2-6H,1H3.
What are the key properties of 2-bromo-5-(2-bromopropanoyl)benzaldehyde?
2-bromo-5-(2-bromopropanoyl)benzaldehyde has a molecular weight of 319.98 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-bromopropanoyl)benzaldehyde is sourced from PubChem (CID 130894877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).