5-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde

C8H3F6NO2 — CID 134677513

IUPAC5-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1cc(F)c(C(F)F)c(OC(F)(F)F)n1
InChIInChI=1S/C8H3F6NO2/c9-4-1-3(2-16)15-7(5(4)6(10)11)17-8(12,13)14/h1-2,6H
InChIKeyUQJQZWCORVPXPT-UHFFFAOYSA-N
MW259.11 g/mol
LogP2.87
Rot. Bonds3

About 5-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde

5-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde (PubChem CID 134677513) has the molecular formula C8H3F6NO2 and a molecular weight of 259.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
PubChem CID134677513
Molecular FormulaC8H3F6NO2
Molecular Weight259.11 g/mol
Exact Mass259.01
IUPAC Name5-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1cc(F)c(C(F)F)c(OC(F)(F)F)n1
InChIInChI=1S/C8H3F6NO2/c9-4-1-3(2-16)15-7(5(4)6(10)11)17-8(12,13)14/h1-2,6H
InChIKeyUQJQZWCORVPXPT-UHFFFAOYSA-N
XLogP2.87
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 52.87
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

5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134663455
6-(difluoromethyl)-4-fluoro-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134662118
6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 118831095
5-hydroxy-4-iodo-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130111506
3-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134681070
6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 119019596
5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2,4-diamine
CID 118806656
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118818531
6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118809091
3-(difluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134664946
5-(difluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134667776
6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118819890

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 5-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde (CID 134677513) is 5-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 5-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde is O=Cc1cc(F)c(C(F)F)c(OC(F)(F)F)n1.
What is the InChIKey of 5-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde?
The InChIKey is UQJQZWCORVPXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6NO2/c9-4-1-3(2-16)15-7(5(4)6(10)11)17-8(12,13)14/h1-2,6H.
What are the key properties of 5-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde?
5-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde has a molecular weight of 259.11 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 134677513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).