3,5-dibromo-2-methoxybenzaldehyde

C8H6Br2O2 — CID 1494335

IUPAC3,5-dibromo-2-methoxybenzaldehyde
SMILESCOc1c(Br)cc(Br)cc1C=O
InChIInChI=1S/C8H6Br2O2/c1-12-8-5(4-11)2-6(9)3-7(8)10/h2-4H,1H3
InChIKeyNJFNLMDSRHQQNR-UHFFFAOYSA-N
MW293.94 g/mol
LogP3.03
Rot. Bonds2

About 3,5-dibromo-2-methoxybenzaldehyde

3,5-dibromo-2-methoxybenzaldehyde (PubChem CID 1494335) has the molecular formula C8H6Br2O2 and a molecular weight of 293.94 g/mol. Its IUPAC name is 3,5-dibromo-2-methoxybenzaldehyde.

Molecular Properties

Compound Name3,5-dibromo-2-methoxybenzaldehyde
PubChem CID1494335
Molecular FormulaC8H6Br2O2
Molecular Weight293.94 g/mol
Exact Mass291.87
IUPAC Name3,5-dibromo-2-methoxybenzaldehyde
SMILESCOc1c(Br)cc(Br)cc1C=O
InChIInChI=1S/C8H6Br2O2/c1-12-8-5(4-11)2-6(9)3-7(8)10/h2-4H,1H3
InChIKeyNJFNLMDSRHQQNR-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 3,5-dibromo-2-methoxybenzaldehyde?
The IUPAC name of 3,5-dibromo-2-methoxybenzaldehyde (CID 1494335) is 3,5-dibromo-2-methoxybenzaldehyde.
What is the SMILES notation for 3,5-dibromo-2-methoxybenzaldehyde?
The canonical SMILES for 3,5-dibromo-2-methoxybenzaldehyde is COc1c(Br)cc(Br)cc1C=O.
What is the InChIKey of 3,5-dibromo-2-methoxybenzaldehyde?
The InChIKey is NJFNLMDSRHQQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2O2/c1-12-8-5(4-11)2-6(9)3-7(8)10/h2-4H,1H3.
What are the key properties of 3,5-dibromo-2-methoxybenzaldehyde?
3,5-dibromo-2-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 3,5-dibromo-2-methoxybenzaldehyde is sourced from PubChem (CID 1494335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).