2-bromo-2-(5-fluoro-2-pyridinyl)acetaldehyde

C7H5BrFNO — CID 87301723

IUPAC2-bromo-2-(5-fluoro-2-pyridinyl)acetaldehyde
SMILESO=CC(Br)c1ccc(F)cn1
InChIInChI=1S/C7H5BrFNO/c8-6(4-11)7-2-1-5(9)3-10-7/h1-4,6H
InChIKeyWPWABTHKOSLZTD-UHFFFAOYSA-N
MW218.03 g/mol
LogP1.86
Rot. Bonds2

About 2-bromo-2-(5-fluoro-2-pyridinyl)acetaldehyde

2-bromo-2-(5-fluoro-2-pyridinyl)acetaldehyde (PubChem CID 87301723) has the molecular formula C7H5BrFNO and a molecular weight of 218.03 g/mol. Its IUPAC name is 2-bromo-2-(5-fluoro-2-pyridinyl)acetaldehyde.

Molecular Properties

Compound Name2-bromo-2-(5-fluoro-2-pyridinyl)acetaldehyde
PubChem CID87301723
Molecular FormulaC7H5BrFNO
Molecular Weight218.03 g/mol
Exact Mass216.95
IUPAC Name2-bromo-2-(5-fluoro-2-pyridinyl)acetaldehyde
SMILESO=CC(Br)c1ccc(F)cn1
InChIInChI=1S/C7H5BrFNO/c8-6(4-11)7-2-1-5(9)3-10-7/h1-4,6H
InChIKeyWPWABTHKOSLZTD-UHFFFAOYSA-N
XLogP1.86
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.03
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(5-fluoro-2-pyridinyl)acetaldehyde?
The IUPAC name of 2-bromo-2-(5-fluoro-2-pyridinyl)acetaldehyde (CID 87301723) is 2-bromo-2-(5-fluoro-2-pyridinyl)acetaldehyde.
What is the SMILES notation for 2-bromo-2-(5-fluoro-2-pyridinyl)acetaldehyde?
The canonical SMILES for 2-bromo-2-(5-fluoro-2-pyridinyl)acetaldehyde is O=CC(Br)c1ccc(F)cn1.
What is the InChIKey of 2-bromo-2-(5-fluoro-2-pyridinyl)acetaldehyde?
The InChIKey is WPWABTHKOSLZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFNO/c8-6(4-11)7-2-1-5(9)3-10-7/h1-4,6H.
What are the key properties of 2-bromo-2-(5-fluoro-2-pyridinyl)acetaldehyde?
2-bromo-2-(5-fluoro-2-pyridinyl)acetaldehyde has a molecular weight of 218.03 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(5-fluoro-2-pyridinyl)acetaldehyde is sourced from PubChem (CID 87301723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).