5-fluoro-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde

C13H7F4NO2 — CID 133089187

IUPAC5-fluoro-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
SMILESO=Cc1ncc(F)cc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H7F4NO2/c14-9-5-11(12(7-19)18-6-9)8-2-1-3-10(4-8)20-13(15,16)17/h1-7H
InChIKeyNCXSAMPMBOFXPH-UHFFFAOYSA-N
MW285.20 g/mol
LogP3.60
Rot. Bonds3

About 5-fluoro-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde

5-fluoro-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde (PubChem CID 133089187) has the molecular formula C13H7F4NO2 and a molecular weight of 285.20 g/mol. Its IUPAC name is 5-fluoro-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
PubChem CID133089187
Molecular FormulaC13H7F4NO2
Molecular Weight285.20 g/mol
Exact Mass285.04
IUPAC Name5-fluoro-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
SMILESO=Cc1ncc(F)cc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H7F4NO2/c14-9-5-11(12(7-19)18-6-9)8-2-1-3-10(4-8)20-13(15,16)17/h1-7H
InChIKeyNCXSAMPMBOFXPH-UHFFFAOYSA-N
XLogP3.60
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-fluoro-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde 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-fluoro-2-[3-(trifluoromethoxy)phenyl]benzaldehyde
CID 103694064
6-amino-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 87405373
2-[5-fluoro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089299
4-chloro-6-[3-(trifluoromethoxy)phenyl]pyrimidine-5-carbaldehyde
CID 79079025
3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 133089266
2-fluoro-5-iodo-3-[3-(trifluoromethoxy)phenyl]pyridine
CID 133089048
2,3-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134617500
formyl chloride;3-(trifluoromethoxy)benzaldehyde
CID 174520799
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol
CID 79018315
1,2,4-trichloro-5-[3-(trifluoromethoxy)phenyl]benzene
CID 118994485
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde?
The IUPAC name of 5-fluoro-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde (CID 133089187) is 5-fluoro-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-fluoro-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde?
The canonical SMILES for 5-fluoro-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde is O=Cc1ncc(F)cc1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 5-fluoro-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde?
The InChIKey is NCXSAMPMBOFXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4NO2/c14-9-5-11(12(7-19)18-6-9)8-2-1-3-10(4-8)20-13(15,16)17/h1-7H.
What are the key properties of 5-fluoro-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde?
5-fluoro-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde has a molecular weight of 285.20 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 133089187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).