3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]benzaldehyde

C13H7F4NO2 — CID 86728327

IUPAC3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]benzaldehyde
SMILESO=Cc1ccc(Oc2cncc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C13H7F4NO2/c14-11-3-8(7-19)1-2-12(11)20-10-4-9(5-18-6-10)13(15,16)17/h1-7H
InChIKeyJIQOINAUAHCPOM-UHFFFAOYSA-N
MW285.20 g/mol
LogP3.84
Rot. Bonds3

About 3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]benzaldehyde

3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]benzaldehyde (PubChem CID 86728327) has the molecular formula C13H7F4NO2 and a molecular weight of 285.20 g/mol. Its IUPAC name is 3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]benzaldehyde
PubChem CID86728327
Molecular FormulaC13H7F4NO2
Molecular Weight285.20 g/mol
Exact Mass285.04
IUPAC Name3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]benzaldehyde
SMILESO=Cc1ccc(Oc2cncc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C13H7F4NO2/c14-11-3-8(7-19)1-2-12(11)20-10-4-9(5-18-6-10)13(15,16)17/h1-7H
InChIKeyJIQOINAUAHCPOM-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
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

Methyl 4-{[5-(trifluoromethyl)-2-pyridinyl]oxy}benzenecarboxylate
CID 1479736
6-(4-Methylphenoxy)nicotinaldehyde
CID 2764054
1-(4-Methoxyphenyl)-3-(3-pyridinyl)-2-propen-1-one
CID 5717022
4-(Pyridin-2-ylmethoxy)benzaldehyde
CID 759667
Ketone, (p-ethoxyphenyl) 4-pyridyl
CID 36316
2-(Pyridin-2-ylmethoxy)benzaldehyde
CID 771116
4-(Pyridin-3-ylmethoxy)benzaldehyde
CID 819480
3-Pyridinyl 4-methoxybenzoate
CID 1120962
5-(Trifluoromethyl)-3-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
CID 1478755
(4-Methoxyphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
CID 71604368
Pyridin-3-yl 4-ethoxybenzoate
CID 168284632
1-(4-{[3-Chloro-5-(trifluoromethyl)-2-pyridyl]methoxy}phenyl)ethan-1-one
CID 2745745

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]benzaldehyde?
The IUPAC name of 3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]benzaldehyde (CID 86728327) is 3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]benzaldehyde.
What is the SMILES notation for 3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]benzaldehyde?
The canonical SMILES for 3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]benzaldehyde is O=Cc1ccc(Oc2cncc(C(F)(F)F)c2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]benzaldehyde?
The InChIKey is JIQOINAUAHCPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4NO2/c14-11-3-8(7-19)1-2-12(11)20-10-4-9(5-18-6-10)13(15,16)17/h1-7H.
What are the key properties of 3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]benzaldehyde?
3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]benzaldehyde has a molecular weight of 285.20 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]benzaldehyde is sourced from PubChem (CID 86728327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).