3-bromonaphthalene-2-carbaldehyde

C11H7BrO — CID 581168

IUPAC3-bromonaphthalene-2-carbaldehyde
SMILESO=Cc1cc2ccccc2cc1Br
InChIInChI=1S/C11H7BrO/c12-11-6-9-4-2-1-3-8(9)5-10(11)7-13/h1-7H
InChIKeyZKTRKPUSTOGJMJ-UHFFFAOYSA-N
MW235.08 g/mol
LogP3.41
Rot. Bonds1

About 3-bromonaphthalene-2-carbaldehyde

3-bromonaphthalene-2-carbaldehyde (PubChem CID 581168) has the molecular formula C11H7BrO and a molecular weight of 235.08 g/mol. Its IUPAC name is 3-bromonaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name3-bromonaphthalene-2-carbaldehyde
PubChem CID581168
Molecular FormulaC11H7BrO
Molecular Weight235.08 g/mol
Exact Mass233.97
IUPAC Name3-bromonaphthalene-2-carbaldehyde
SMILESO=Cc1cc2ccccc2cc1Br
InChIInChI=1S/C11H7BrO/c12-11-6-9-4-2-1-3-8(9)5-10(11)7-13/h1-7H
InChIKeyZKTRKPUSTOGJMJ-UHFFFAOYSA-N
XLogP3.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 53.41
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 3-bromonaphthalene-2-carbaldehyde?
The IUPAC name of 3-bromonaphthalene-2-carbaldehyde (CID 581168) is 3-bromonaphthalene-2-carbaldehyde.
What is the SMILES notation for 3-bromonaphthalene-2-carbaldehyde?
The canonical SMILES for 3-bromonaphthalene-2-carbaldehyde is O=Cc1cc2ccccc2cc1Br.
What is the InChIKey of 3-bromonaphthalene-2-carbaldehyde?
The InChIKey is ZKTRKPUSTOGJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrO/c12-11-6-9-4-2-1-3-8(9)5-10(11)7-13/h1-7H.
What are the key properties of 3-bromonaphthalene-2-carbaldehyde?
3-bromonaphthalene-2-carbaldehyde has a molecular weight of 235.08 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromonaphthalene-2-carbaldehyde is sourced from PubChem (CID 581168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).