5-bromo-6-(2-methoxyethoxy)pyridine-3-carbaldehyde

C9H10BrNO3 — CID 141397740

IUPAC5-bromo-6-(2-methoxyethoxy)pyridine-3-carbaldehyde
SMILESCOCCOc1ncc(C=O)cc1Br
InChIInChI=1S/C9H10BrNO3/c1-13-2-3-14-9-8(10)4-7(6-12)5-11-9/h4-6H,2-3H2,1H3
InChIKeyXMMWGZGLQNKBRJ-UHFFFAOYSA-N
MW260.09 g/mol
LogP1.68
Rot. Bonds5

About 5-bromo-6-(2-methoxyethoxy)pyridine-3-carbaldehyde

5-bromo-6-(2-methoxyethoxy)pyridine-3-carbaldehyde (PubChem CID 141397740) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is 5-bromo-6-(2-methoxyethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-bromo-6-(2-methoxyethoxy)pyridine-3-carbaldehyde
PubChem CID141397740
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Name5-bromo-6-(2-methoxyethoxy)pyridine-3-carbaldehyde
SMILESCOCCOc1ncc(C=O)cc1Br
InChIInChI=1S/C9H10BrNO3/c1-13-2-3-14-9-8(10)4-7(6-12)5-11-9/h4-6H,2-3H2,1H3
InChIKeyXMMWGZGLQNKBRJ-UHFFFAOYSA-N
XLogP1.68
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(2-methoxyethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 5-bromo-6-(2-methoxyethoxy)pyridine-3-carbaldehyde (CID 141397740) is 5-bromo-6-(2-methoxyethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-bromo-6-(2-methoxyethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 5-bromo-6-(2-methoxyethoxy)pyridine-3-carbaldehyde is COCCOc1ncc(C=O)cc1Br.
What is the InChIKey of 5-bromo-6-(2-methoxyethoxy)pyridine-3-carbaldehyde?
The InChIKey is XMMWGZGLQNKBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-13-2-3-14-9-8(10)4-7(6-12)5-11-9/h4-6H,2-3H2,1H3.
What are the key properties of 5-bromo-6-(2-methoxyethoxy)pyridine-3-carbaldehyde?
5-bromo-6-(2-methoxyethoxy)pyridine-3-carbaldehyde has a molecular weight of 260.09 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(2-methoxyethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 141397740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).