3-bromo-2-hydroxynaphthalene-1-carbaldehyde

C11H7BrO2 — CID 598778

IUPAC3-bromo-2-hydroxynaphthalene-1-carbaldehyde
SMILESO=Cc1c(O)c(Br)cc2ccccc12
InChIInChI=1S/C11H7BrO2/c12-10-5-7-3-1-2-4-8(7)9(6-13)11(10)14/h1-6,14H
InChIKeyJNMWFAZXITZICI-UHFFFAOYSA-N
MW251.08 g/mol
LogP3.12
Rot. Bonds1

About 3-bromo-2-hydroxynaphthalene-1-carbaldehyde

3-bromo-2-hydroxynaphthalene-1-carbaldehyde (PubChem CID 598778) has the molecular formula C11H7BrO2 and a molecular weight of 251.08 g/mol. Its IUPAC name is 3-bromo-2-hydroxynaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name3-bromo-2-hydroxynaphthalene-1-carbaldehyde
PubChem CID598778
Molecular FormulaC11H7BrO2
Molecular Weight251.08 g/mol
Exact Mass249.96
IUPAC Name3-bromo-2-hydroxynaphthalene-1-carbaldehyde
SMILESO=Cc1c(O)c(Br)cc2ccccc12
InChIInChI=1S/C11H7BrO2/c12-10-5-7-3-1-2-4-8(7)9(6-13)11(10)14/h1-6,14H
InChIKeyJNMWFAZXITZICI-UHFFFAOYSA-N
XLogP3.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 53.12
H-Bond Donors ≤ 51
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-bromo-2-hydroxynaphthalene-1-carbaldehyde?
The IUPAC name of 3-bromo-2-hydroxynaphthalene-1-carbaldehyde (CID 598778) is 3-bromo-2-hydroxynaphthalene-1-carbaldehyde.
What is the SMILES notation for 3-bromo-2-hydroxynaphthalene-1-carbaldehyde?
The canonical SMILES for 3-bromo-2-hydroxynaphthalene-1-carbaldehyde is O=Cc1c(O)c(Br)cc2ccccc12.
What is the InChIKey of 3-bromo-2-hydroxynaphthalene-1-carbaldehyde?
The InChIKey is JNMWFAZXITZICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrO2/c12-10-5-7-3-1-2-4-8(7)9(6-13)11(10)14/h1-6,14H.
What are the key properties of 3-bromo-2-hydroxynaphthalene-1-carbaldehyde?
3-bromo-2-hydroxynaphthalene-1-carbaldehyde has a molecular weight of 251.08 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-hydroxynaphthalene-1-carbaldehyde is sourced from PubChem (CID 598778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).