6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde

C7H4F3NO3 — CID 130092983

IUPAC6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c[nH]c(=O)c(OC(F)(F)F)c1
InChIInChI=1S/C7H4F3NO3/c8-7(9,10)14-5-1-4(3-12)2-11-6(5)13/h1-3H,(H,11,13)
InChIKeyKDJQVWFLAKQGDW-UHFFFAOYSA-N
MW207.11 g/mol
LogP1.09
Rot. Bonds2

About 6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde

6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde (PubChem CID 130092983) has the molecular formula C7H4F3NO3 and a molecular weight of 207.11 g/mol. Its IUPAC name is 6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
PubChem CID130092983
Molecular FormulaC7H4F3NO3
Molecular Weight207.11 g/mol
Exact Mass207.01
IUPAC Name6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c[nH]c(=O)c(OC(F)(F)F)c1
InChIInChI=1S/C7H4F3NO3/c8-7(9,10)14-5-1-4(3-12)2-11-6(5)13/h1-3H,(H,11,13)
InChIKeyKDJQVWFLAKQGDW-UHFFFAOYSA-N
XLogP1.09
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 51.09
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 6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde?
The IUPAC name of 6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde (CID 130092983) is 6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde is O=Cc1c[nH]c(=O)c(OC(F)(F)F)c1.
What is the InChIKey of 6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde?
The InChIKey is KDJQVWFLAKQGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO3/c8-7(9,10)14-5-1-4(3-12)2-11-6(5)13/h1-3H,(H,11,13).
What are the key properties of 6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde?
6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde has a molecular weight of 207.11 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 130092983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).