2-(5-bromo-2-pyridinyl)-2,2-difluoroacetaldehyde

C7H4BrF2NO — CID 87580038

IUPAC2-(5-bromo-2-pyridinyl)-2,2-difluoroacetaldehyde
SMILESO=CC(F)(F)c1ccc(Br)cn1
InChIInChI=1S/C7H4BrF2NO/c8-5-1-2-6(11-3-5)7(9,10)4-12/h1-4H
InChIKeyFLFITZAEVGRXHC-UHFFFAOYSA-N
MW236.02 g/mol
LogP2.13
Rot. Bonds2

About 2-(5-bromo-2-pyridinyl)-2,2-difluoroacetaldehyde

2-(5-bromo-2-pyridinyl)-2,2-difluoroacetaldehyde (PubChem CID 87580038) has the molecular formula C7H4BrF2NO and a molecular weight of 236.02 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-2,2-difluoroacetaldehyde.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-2,2-difluoroacetaldehyde
PubChem CID87580038
Molecular FormulaC7H4BrF2NO
Molecular Weight236.02 g/mol
Exact Mass234.94
IUPAC Name2-(5-bromo-2-pyridinyl)-2,2-difluoroacetaldehyde
SMILESO=CC(F)(F)c1ccc(Br)cn1
InChIInChI=1S/C7H4BrF2NO/c8-5-1-2-6(11-3-5)7(9,10)4-12/h1-4H
InChIKeyFLFITZAEVGRXHC-UHFFFAOYSA-N
XLogP2.13
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.02
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-bromo-2-pyridinyl)-2,2-difluoroacetaldehyde 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-(5-bromo-2-pyridinyl)-2,2-difluoroacetaldehyde?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-2,2-difluoroacetaldehyde (CID 87580038) is 2-(5-bromo-2-pyridinyl)-2,2-difluoroacetaldehyde.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-2,2-difluoroacetaldehyde?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-2,2-difluoroacetaldehyde is O=CC(F)(F)c1ccc(Br)cn1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-2,2-difluoroacetaldehyde?
The InChIKey is FLFITZAEVGRXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2NO/c8-5-1-2-6(11-3-5)7(9,10)4-12/h1-4H.
What are the key properties of 2-(5-bromo-2-pyridinyl)-2,2-difluoroacetaldehyde?
2-(5-bromo-2-pyridinyl)-2,2-difluoroacetaldehyde has a molecular weight of 236.02 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-2,2-difluoroacetaldehyde is sourced from PubChem (CID 87580038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).