5-bromo-6-(hydroxymethyl)quinoline-2-carbaldehyde

C11H8BrNO2 — CID 58506614

IUPAC5-bromo-6-(hydroxymethyl)quinoline-2-carbaldehyde
SMILESO=Cc1ccc2c(Br)c(CO)ccc2n1
InChIInChI=1S/C11H8BrNO2/c12-11-7(5-14)1-4-10-9(11)3-2-8(6-15)13-10/h1-4,6,14H,5H2
InChIKeyOZFKWSQBEWRQCK-UHFFFAOYSA-N
MW266.09 g/mol
LogP2.30
Rot. Bonds2

About 5-bromo-6-(hydroxymethyl)quinoline-2-carbaldehyde

5-bromo-6-(hydroxymethyl)quinoline-2-carbaldehyde (PubChem CID 58506614) has the molecular formula C11H8BrNO2 and a molecular weight of 266.09 g/mol. Its IUPAC name is 5-bromo-6-(hydroxymethyl)quinoline-2-carbaldehyde.

Molecular Properties

Compound Name5-bromo-6-(hydroxymethyl)quinoline-2-carbaldehyde
PubChem CID58506614
Molecular FormulaC11H8BrNO2
Molecular Weight266.09 g/mol
Exact Mass264.97
IUPAC Name5-bromo-6-(hydroxymethyl)quinoline-2-carbaldehyde
SMILESO=Cc1ccc2c(Br)c(CO)ccc2n1
InChIInChI=1S/C11H8BrNO2/c12-11-7(5-14)1-4-10-9(11)3-2-8(6-15)13-10/h1-4,6,14H,5H2
InChIKeyOZFKWSQBEWRQCK-UHFFFAOYSA-N
XLogP2.30
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-bromo-6-(hydroxymethyl)quinoline-2-carbaldehyde?
The IUPAC name of 5-bromo-6-(hydroxymethyl)quinoline-2-carbaldehyde (CID 58506614) is 5-bromo-6-(hydroxymethyl)quinoline-2-carbaldehyde.
What is the SMILES notation for 5-bromo-6-(hydroxymethyl)quinoline-2-carbaldehyde?
The canonical SMILES for 5-bromo-6-(hydroxymethyl)quinoline-2-carbaldehyde is O=Cc1ccc2c(Br)c(CO)ccc2n1.
What is the InChIKey of 5-bromo-6-(hydroxymethyl)quinoline-2-carbaldehyde?
The InChIKey is OZFKWSQBEWRQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2/c12-11-7(5-14)1-4-10-9(11)3-2-8(6-15)13-10/h1-4,6,14H,5H2.
What are the key properties of 5-bromo-6-(hydroxymethyl)quinoline-2-carbaldehyde?
5-bromo-6-(hydroxymethyl)quinoline-2-carbaldehyde has a molecular weight of 266.09 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(hydroxymethyl)quinoline-2-carbaldehyde is sourced from PubChem (CID 58506614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).