5-bromonaphthalene-2-carbaldehyde

C11H7BrO — CID 2750349

IUPAC5-bromonaphthalene-2-carbaldehyde
SMILESO=Cc1ccc2c(Br)cccc2c1
InChIInChI=1S/C11H7BrO/c12-11-3-1-2-9-6-8(7-13)4-5-10(9)11/h1-7H
InChIKeyOQAFFLFJQFWYHB-UHFFFAOYSA-N
MW235.08 g/mol
LogP3.41
Rot. Bonds1

About 5-bromonaphthalene-2-carbaldehyde

5-bromonaphthalene-2-carbaldehyde (PubChem CID 2750349) has the molecular formula C11H7BrO and a molecular weight of 235.08 g/mol. Its IUPAC name is 5-bromonaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name5-bromonaphthalene-2-carbaldehyde
PubChem CID2750349
Molecular FormulaC11H7BrO
Molecular Weight235.08 g/mol
Exact Mass233.97
IUPAC Name5-bromonaphthalene-2-carbaldehyde
SMILESO=Cc1ccc2c(Br)cccc2c1
InChIInChI=1S/C11H7BrO/c12-11-3-1-2-9-6-8(7-13)4-5-10(9)11/h1-7H
InChIKeyOQAFFLFJQFWYHB-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 5-bromonaphthalene-2-carbaldehyde?
The IUPAC name of 5-bromonaphthalene-2-carbaldehyde (CID 2750349) is 5-bromonaphthalene-2-carbaldehyde.
What is the SMILES notation for 5-bromonaphthalene-2-carbaldehyde?
The canonical SMILES for 5-bromonaphthalene-2-carbaldehyde is O=Cc1ccc2c(Br)cccc2c1.
What is the InChIKey of 5-bromonaphthalene-2-carbaldehyde?
The InChIKey is OQAFFLFJQFWYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrO/c12-11-3-1-2-9-6-8(7-13)4-5-10(9)11/h1-7H.
What are the key properties of 5-bromonaphthalene-2-carbaldehyde?
5-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 5-bromonaphthalene-2-carbaldehyde is sourced from PubChem (CID 2750349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).