3,5-difluoro-4-(3-pyridin-4-ylpropoxy)benzaldehyde

C15H13F2NO2 — CID 79116566

IUPAC3,5-difluoro-4-(3-pyridin-4-ylpropoxy)benzaldehyde
SMILESO=Cc1cc(F)c(OCCCc2ccncc2)c(F)c1
InChIInChI=1S/C15H13F2NO2/c16-13-8-12(10-19)9-14(17)15(13)20-7-1-2-11-3-5-18-6-4-11/h3-6,8-10H,1-2,7H2
InChIKeyUTGKRBWWNTXPEA-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.18
Rot. Bonds6

About 3,5-difluoro-4-(3-pyridin-4-ylpropoxy)benzaldehyde

3,5-difluoro-4-(3-pyridin-4-ylpropoxy)benzaldehyde (PubChem CID 79116566) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 3,5-difluoro-4-(3-pyridin-4-ylpropoxy)benzaldehyde.

Molecular Properties

Compound Name3,5-difluoro-4-(3-pyridin-4-ylpropoxy)benzaldehyde
PubChem CID79116566
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name3,5-difluoro-4-(3-pyridin-4-ylpropoxy)benzaldehyde
SMILESO=Cc1cc(F)c(OCCCc2ccncc2)c(F)c1
InChIInChI=1S/C15H13F2NO2/c16-13-8-12(10-19)9-14(17)15(13)20-7-1-2-11-3-5-18-6-4-11/h3-6,8-10H,1-2,7H2
InChIKeyUTGKRBWWNTXPEA-UHFFFAOYSA-N
XLogP3.18
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.18
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 3,5-difluoro-4-(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

4-(3,3-dimethylbutoxy)-3,5-difluorobenzaldehyde
CID 79892136
4-[ethyl(pyridin-4-ylmethyl)amino]-3,5-difluorobenzaldehyde
CID 63052408
5-bromo-2-(3-pyridin-4-ylpropoxy)benzaldehyde
CID 104952350
3,5-difluoro-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103178174
3,5-dichloro-4-(3-pyridin-4-ylpropoxy)phenol
CID 18504590
4-(2,6-difluoro-4-formylphenoxy)-N,N-dimethylbutanamide
CID 79891319
3-fluoro-4-(4-phenylbutoxy)benzaldehyde
CID 107689474
3,5-difluoro-4-(1,2-oxazol-4-ylmethoxy)benzaldehyde
CID 79891546
4-(3-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde
CID 79891324
3,5-difluoro-4-[3-(oxolan-2-yl)propoxy]benzaldehyde
CID 79891317
(1R)-1-[3-fluoro-4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 29006438
[2-fluoro-4-(2-pyridin-4-ylethoxy)phenyl]borane
CID 88897064

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(3-pyridin-4-ylpropoxy)benzaldehyde?
The IUPAC name of 3,5-difluoro-4-(3-pyridin-4-ylpropoxy)benzaldehyde (CID 79116566) is 3,5-difluoro-4-(3-pyridin-4-ylpropoxy)benzaldehyde.
What is the SMILES notation for 3,5-difluoro-4-(3-pyridin-4-ylpropoxy)benzaldehyde?
The canonical SMILES for 3,5-difluoro-4-(3-pyridin-4-ylpropoxy)benzaldehyde is O=Cc1cc(F)c(OCCCc2ccncc2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(3-pyridin-4-ylpropoxy)benzaldehyde?
The InChIKey is UTGKRBWWNTXPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c16-13-8-12(10-19)9-14(17)15(13)20-7-1-2-11-3-5-18-6-4-11/h3-6,8-10H,1-2,7H2.
What are the key properties of 3,5-difluoro-4-(3-pyridin-4-ylpropoxy)benzaldehyde?
3,5-difluoro-4-(3-pyridin-4-ylpropoxy)benzaldehyde has a molecular weight of 277.27 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(3-pyridin-4-ylpropoxy)benzaldehyde is sourced from PubChem (CID 79116566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).