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

C8H3F6NO3 — CID 118844209

IUPAC4-oxo-2-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(OC(F)(F)F)[nH]cc(C(F)(F)F)c1=O
InChIInChI=1S/C8H3F6NO3/c9-7(10,11)4-1-15-6(18-8(12,13)14)3(2-16)5(4)17/h1-2H,(H,15,17)
InChIKeyAMNUVWATNLFSBC-UHFFFAOYSA-N
MW275.10 g/mol
LogP2.10
Rot. Bonds2

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

4-oxo-2-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde (PubChem CID 118844209) has the molecular formula C8H3F6NO3 and a molecular weight of 275.10 g/mol. Its IUPAC name is 4-oxo-2-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-oxo-2-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
PubChem CID118844209
Molecular FormulaC8H3F6NO3
Molecular Weight275.10 g/mol
Exact Mass275.00
IUPAC Name4-oxo-2-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(OC(F)(F)F)[nH]cc(C(F)(F)F)c1=O
InChIInChI=1S/C8H3F6NO3/c9-7(10,11)4-1-15-6(18-8(12,13)14)3(2-16)5(4)17/h1-2H,(H,15,17)
InChIKeyAMNUVWATNLFSBC-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 4-oxo-2-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
The IUPAC name of 4-oxo-2-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde (CID 118844209) is 4-oxo-2-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 4-oxo-2-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 4-oxo-2-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde is O=Cc1c(OC(F)(F)F)[nH]cc(C(F)(F)F)c1=O.
What is the InChIKey of 4-oxo-2-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
The InChIKey is AMNUVWATNLFSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6NO3/c9-7(10,11)4-1-15-6(18-8(12,13)14)3(2-16)5(4)17/h1-2H,(H,15,17).
What are the key properties of 4-oxo-2-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
4-oxo-2-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-3-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 4-oxo-2-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 118844209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).