1,6-dibromonaphthalene-2-carbaldehyde

C11H6Br2O — CID 88724899

IUPAC1,6-dibromonaphthalene-2-carbaldehyde
SMILESO=Cc1ccc2cc(Br)ccc2c1Br
InChIInChI=1S/C11H6Br2O/c12-9-3-4-10-7(5-9)1-2-8(6-14)11(10)13/h1-6H
InChIKeyPMASCIUOTILTKS-UHFFFAOYSA-N
MW313.98 g/mol
LogP4.18
Rot. Bonds1

About 1,6-dibromonaphthalene-2-carbaldehyde

1,6-dibromonaphthalene-2-carbaldehyde (PubChem CID 88724899) has the molecular formula C11H6Br2O and a molecular weight of 313.98 g/mol. Its IUPAC name is 1,6-dibromonaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name1,6-dibromonaphthalene-2-carbaldehyde
PubChem CID88724899
Molecular FormulaC11H6Br2O
Molecular Weight313.98 g/mol
Exact Mass311.88
IUPAC Name1,6-dibromonaphthalene-2-carbaldehyde
SMILESO=Cc1ccc2cc(Br)ccc2c1Br
InChIInChI=1S/C11H6Br2O/c12-9-3-4-10-7(5-9)1-2-8(6-14)11(10)13/h1-6H
InChIKeyPMASCIUOTILTKS-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.98
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,6-dibromonaphthalene-2-carbaldehyde?
The IUPAC name of 1,6-dibromonaphthalene-2-carbaldehyde (CID 88724899) is 1,6-dibromonaphthalene-2-carbaldehyde.
What is the SMILES notation for 1,6-dibromonaphthalene-2-carbaldehyde?
The canonical SMILES for 1,6-dibromonaphthalene-2-carbaldehyde is O=Cc1ccc2cc(Br)ccc2c1Br.
What is the InChIKey of 1,6-dibromonaphthalene-2-carbaldehyde?
The InChIKey is PMASCIUOTILTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2O/c12-9-3-4-10-7(5-9)1-2-8(6-14)11(10)13/h1-6H.
What are the key properties of 1,6-dibromonaphthalene-2-carbaldehyde?
1,6-dibromonaphthalene-2-carbaldehyde has a molecular weight of 313.98 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dibromonaphthalene-2-carbaldehyde is sourced from PubChem (CID 88724899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).