2-(6-bromo-3-fluoro-2-pyridinyl)acetaldehyde

C7H5BrFNO — CID 87587853

IUPAC2-(6-bromo-3-fluoro-2-pyridinyl)acetaldehyde
SMILESO=CCc1nc(Br)ccc1F
InChIInChI=1S/C7H5BrFNO/c8-7-2-1-5(9)6(10-7)3-4-11/h1-2,4H,3H2
InChIKeyYLGUNQGZTOLPIZ-UHFFFAOYSA-N
MW218.02 g/mol
LogP1.72
Rot. Bonds2

About 2-(6-bromo-3-fluoro-2-pyridinyl)acetaldehyde

2-(6-bromo-3-fluoro-2-pyridinyl)acetaldehyde (PubChem CID 87587853) has the molecular formula C7H5BrFNO and a molecular weight of 218.02 g/mol. Its IUPAC name is 2-(6-bromo-3-fluoro-2-pyridinyl)acetaldehyde.

Molecular Properties

Compound Name2-(6-bromo-3-fluoro-2-pyridinyl)acetaldehyde
PubChem CID87587853
Molecular FormulaC7H5BrFNO
Molecular Weight218.02 g/mol
Exact Mass216.95
IUPAC Name2-(6-bromo-3-fluoro-2-pyridinyl)acetaldehyde
SMILESO=CCc1nc(Br)ccc1F
InChIInChI=1S/C7H5BrFNO/c8-7-2-1-5(9)6(10-7)3-4-11/h1-2,4H,3H2
InChIKeyYLGUNQGZTOLPIZ-UHFFFAOYSA-N
XLogP1.72
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.02
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(6-bromo-3-fluoro-2-pyridinyl)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-fluoro-2-pyridinyl)acetaldehyde?
The IUPAC name of 2-(6-bromo-3-fluoro-2-pyridinyl)acetaldehyde (CID 87587853) is 2-(6-bromo-3-fluoro-2-pyridinyl)acetaldehyde.
What is the SMILES notation for 2-(6-bromo-3-fluoro-2-pyridinyl)acetaldehyde?
The canonical SMILES for 2-(6-bromo-3-fluoro-2-pyridinyl)acetaldehyde is O=CCc1nc(Br)ccc1F.
What is the InChIKey of 2-(6-bromo-3-fluoro-2-pyridinyl)acetaldehyde?
The InChIKey is YLGUNQGZTOLPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFNO/c8-7-2-1-5(9)6(10-7)3-4-11/h1-2,4H,3H2.
What are the key properties of 2-(6-bromo-3-fluoro-2-pyridinyl)acetaldehyde?
2-(6-bromo-3-fluoro-2-pyridinyl)acetaldehyde has a molecular weight of 218.02 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3-fluoro-2-pyridinyl)acetaldehyde is sourced from PubChem (CID 87587853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).