2-oxo-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carbaldehyde

C8H3F6NO3 — CID 134666235

IUPAC2-oxo-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carbaldehyde
SMILESO=Cc1c(OC(F)(F)F)c[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C8H3F6NO3/c9-7(10,11)5-3(2-16)4(1-15-6(5)17)18-8(12,13)14/h1-2H,(H,15,17)
InChIKeyZQNGYUQZKORANV-UHFFFAOYSA-N
MW275.10 g/mol
LogP2.10
Rot. Bonds2

About 2-oxo-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carbaldehyde

2-oxo-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carbaldehyde (PubChem CID 134666235) has the molecular formula C8H3F6NO3 and a molecular weight of 275.10 g/mol. Its IUPAC name is 2-oxo-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-oxo-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carbaldehyde
PubChem CID134666235
Molecular FormulaC8H3F6NO3
Molecular Weight275.10 g/mol
Exact Mass275.00
IUPAC Name2-oxo-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carbaldehyde
SMILESO=Cc1c(OC(F)(F)F)c[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C8H3F6NO3/c9-7(10,11)5-3(2-16)4(1-15-6(5)17)18-8(12,13)14/h1-2H,(H,15,17)
InChIKeyZQNGYUQZKORANV-UHFFFAOYSA-N
XLogP2.10
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carbaldehyde?
The IUPAC name of 2-oxo-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carbaldehyde (CID 134666235) is 2-oxo-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carbaldehyde.
What is the SMILES notation for 2-oxo-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carbaldehyde?
The canonical SMILES for 2-oxo-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carbaldehyde is O=Cc1c(OC(F)(F)F)c[nH]c(=O)c1C(F)(F)F.
What is the InChIKey of 2-oxo-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carbaldehyde?
The InChIKey is ZQNGYUQZKORANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6NO3/c9-7(10,11)5-3(2-16)4(1-15-6(5)17)18-8(12,13)14/h1-2H,(H,15,17).
What are the key properties of 2-oxo-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carbaldehyde?
2-oxo-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carbaldehyde has a molecular weight of 275.10 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carbaldehyde is sourced from PubChem (CID 134666235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).