2,4-dibromo-5-methoxybenzaldehyde

C8H6Br2O2 — CID 11460592

IUPAC2,4-dibromo-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)c(Br)cc1Br
InChIInChI=1S/C8H6Br2O2/c1-12-8-2-5(4-11)6(9)3-7(8)10/h2-4H,1H3
InChIKeyYNFYLBAXTVUPKS-UHFFFAOYSA-N
MW293.94 g/mol
LogP3.03
Rot. Bonds2

About 2,4-dibromo-5-methoxybenzaldehyde

2,4-dibromo-5-methoxybenzaldehyde (PubChem CID 11460592) has the molecular formula C8H6Br2O2 and a molecular weight of 293.94 g/mol. Its IUPAC name is 2,4-dibromo-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2,4-dibromo-5-methoxybenzaldehyde
PubChem CID11460592
Molecular FormulaC8H6Br2O2
Molecular Weight293.94 g/mol
Exact Mass291.87
IUPAC Name2,4-dibromo-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)c(Br)cc1Br
InChIInChI=1S/C8H6Br2O2/c1-12-8-2-5(4-11)6(9)3-7(8)10/h2-4H,1H3
InChIKeyYNFYLBAXTVUPKS-UHFFFAOYSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.94
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-5-methoxybenzaldehyde?
The IUPAC name of 2,4-dibromo-5-methoxybenzaldehyde (CID 11460592) is 2,4-dibromo-5-methoxybenzaldehyde.
What is the SMILES notation for 2,4-dibromo-5-methoxybenzaldehyde?
The canonical SMILES for 2,4-dibromo-5-methoxybenzaldehyde is COc1cc(C=O)c(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-5-methoxybenzaldehyde?
The InChIKey is YNFYLBAXTVUPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2O2/c1-12-8-2-5(4-11)6(9)3-7(8)10/h2-4H,1H3.
What are the key properties of 2,4-dibromo-5-methoxybenzaldehyde?
2,4-dibromo-5-methoxybenzaldehyde has a molecular weight of 293.94 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-5-methoxybenzaldehyde is sourced from PubChem (CID 11460592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).