5-bromo-2-(3-pyridin-4-ylpropoxy)benzaldehyde

C15H14BrNO2 — CID 104952350

IUPAC5-bromo-2-(3-pyridin-4-ylpropoxy)benzaldehyde
SMILESO=Cc1cc(Br)ccc1OCCCc1ccncc1
InChIInChI=1S/C15H14BrNO2/c16-14-3-4-15(13(10-14)11-18)19-9-1-2-12-5-7-17-8-6-12/h3-8,10-11H,1-2,9H2
InChIKeyZPMWJEDGMNERHW-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.67
Rot. Bonds6

About 5-bromo-2-(3-pyridin-4-ylpropoxy)benzaldehyde

5-bromo-2-(3-pyridin-4-ylpropoxy)benzaldehyde (PubChem CID 104952350) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 5-bromo-2-(3-pyridin-4-ylpropoxy)benzaldehyde.

Molecular Properties

Compound Name5-bromo-2-(3-pyridin-4-ylpropoxy)benzaldehyde
PubChem CID104952350
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name5-bromo-2-(3-pyridin-4-ylpropoxy)benzaldehyde
SMILESO=Cc1cc(Br)ccc1OCCCc1ccncc1
InChIInChI=1S/C15H14BrNO2/c16-14-3-4-15(13(10-14)11-18)19-9-1-2-12-5-7-17-8-6-12/h3-8,10-11H,1-2,9H2
InChIKeyZPMWJEDGMNERHW-UHFFFAOYSA-N
XLogP3.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-2-(3-pyridin-4-ylpropoxy)benzaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-2-(2-pyridin-4-ylethoxy)benzaldehyde
CID 60892649
5-bromo-2-(3-fluoropropoxy)benzaldehyde
CID 81106104
5-bromo-N'-hydroxy-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide
CID 114892744
5-bromo-2-(3-methylbutoxy)benzaldehyde
CID 3816179
2-(4-bromo-2-formylphenoxy)acetonitrile
CID 3679753
5-methyl-2-(3-phenylpropoxy)benzaldehyde
CID 54794870
5-bromo-2-[2-(4-chlorophenoxy)ethoxy]benzaldehyde
CID 20988193
5-bromo-2-pent-3-ynoxybenzaldehyde
CID 104744018
5-bromo-2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 63530168
5-bromo-2-(2-phenylsulfanylethoxy)benzaldehyde
CID 79222273
5-bromo-2-(thiophen-3-ylmethoxy)benzaldehyde
CID 43646173
5-bromo-2-[2-(2,6-dimethylphenoxy)ethoxy]benzaldehyde
CID 20993241

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-pyridin-4-ylpropoxy)benzaldehyde?
The IUPAC name of 5-bromo-2-(3-pyridin-4-ylpropoxy)benzaldehyde (CID 104952350) is 5-bromo-2-(3-pyridin-4-ylpropoxy)benzaldehyde.
What is the SMILES notation for 5-bromo-2-(3-pyridin-4-ylpropoxy)benzaldehyde?
The canonical SMILES for 5-bromo-2-(3-pyridin-4-ylpropoxy)benzaldehyde is O=Cc1cc(Br)ccc1OCCCc1ccncc1.
What is the InChIKey of 5-bromo-2-(3-pyridin-4-ylpropoxy)benzaldehyde?
The InChIKey is ZPMWJEDGMNERHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c16-14-3-4-15(13(10-14)11-18)19-9-1-2-12-5-7-17-8-6-12/h3-8,10-11H,1-2,9H2.
What are the key properties of 5-bromo-2-(3-pyridin-4-ylpropoxy)benzaldehyde?
5-bromo-2-(3-pyridin-4-ylpropoxy)benzaldehyde has a molecular weight of 320.19 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-pyridin-4-ylpropoxy)benzaldehyde is sourced from PubChem (CID 104952350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).