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

C13H7F4NO2 — CID 131871409

IUPAC3-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
SMILESO=Cc1ncc(-c2ccccc2OC(F)(F)F)cc1F
InChIInChI=1S/C13H7F4NO2/c14-10-5-8(6-18-11(10)7-19)9-3-1-2-4-12(9)20-13(15,16)17/h1-7H
InChIKeyINWKLUNUBNVFMT-UHFFFAOYSA-N
MW285.20 g/mol
LogP3.60
Rot. Bonds3

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

3-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde (PubChem CID 131871409) has the molecular formula C13H7F4NO2 and a molecular weight of 285.20 g/mol. Its IUPAC name is 3-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
PubChem CID131871409
Molecular FormulaC13H7F4NO2
Molecular Weight285.20 g/mol
Exact Mass285.04
IUPAC Name3-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
SMILESO=Cc1ncc(-c2ccccc2OC(F)(F)F)cc1F
InChIInChI=1S/C13H7F4NO2/c14-10-5-8(6-18-11(10)7-19)9-3-1-2-4-12(9)20-13(15,16)17/h1-7H
InChIKeyINWKLUNUBNVFMT-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'}

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Related Compounds

2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736
5-(2,3-dichlorophenyl)-3-fluoropyridine-2-carbaldehyde
CID 133091105
2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde
CID 172876941
5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine
CID 119015031
[3,5-bis[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol
CID 134623328
3-chloro-2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine
CID 134625989
1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 46313769
3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine
CID 134626259
6-chloro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 134630932
2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134620786
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
1-(chloromethyl)-2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118850748

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde?
The IUPAC name of 3-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde (CID 131871409) is 3-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 3-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde?
The canonical SMILES for 3-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde is O=Cc1ncc(-c2ccccc2OC(F)(F)F)cc1F.
What is the InChIKey of 3-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde?
The InChIKey is INWKLUNUBNVFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4NO2/c14-10-5-8(6-18-11(10)7-19)9-3-1-2-4-12(9)20-13(15,16)17/h1-7H.
What are the key properties of 3-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde?
3-fluoro-5-[2-(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 3-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 131871409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).