2-oxo-7-(trifluoromethoxy)-1H-quinoline-3-carbaldehyde

C11H6F3NO3 — CID 143688170

IUPAC2-oxo-7-(trifluoromethoxy)-1H-quinoline-3-carbaldehyde
SMILESO=Cc1cc2ccc(OC(F)(F)F)cc2[nH]c1=O
InChIInChI=1S/C11H6F3NO3/c12-11(13,14)18-8-2-1-6-3-7(5-16)10(17)15-9(6)4-8/h1-5H,(H,15,17)
InChIKeyMMTIHNYILYRTHW-UHFFFAOYSA-N
MW257.17 g/mol
LogP2.24
Rot. Bonds2

About 2-oxo-7-(trifluoromethoxy)-1H-quinoline-3-carbaldehyde

2-oxo-7-(trifluoromethoxy)-1H-quinoline-3-carbaldehyde (PubChem CID 143688170) has the molecular formula C11H6F3NO3 and a molecular weight of 257.17 g/mol. Its IUPAC name is 2-oxo-7-(trifluoromethoxy)-1H-quinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-oxo-7-(trifluoromethoxy)-1H-quinoline-3-carbaldehyde
PubChem CID143688170
Molecular FormulaC11H6F3NO3
Molecular Weight257.17 g/mol
Exact Mass257.03
IUPAC Name2-oxo-7-(trifluoromethoxy)-1H-quinoline-3-carbaldehyde
SMILESO=Cc1cc2ccc(OC(F)(F)F)cc2[nH]c1=O
InChIInChI=1S/C11H6F3NO3/c12-11(13,14)18-8-2-1-6-3-7(5-16)10(17)15-9(6)4-8/h1-5H,(H,15,17)
InChIKeyMMTIHNYILYRTHW-UHFFFAOYSA-N
XLogP2.24
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 52.24
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-7-(trifluoromethoxy)-1H-quinoline-3-carbaldehyde?
The IUPAC name of 2-oxo-7-(trifluoromethoxy)-1H-quinoline-3-carbaldehyde (CID 143688170) is 2-oxo-7-(trifluoromethoxy)-1H-quinoline-3-carbaldehyde.
What is the SMILES notation for 2-oxo-7-(trifluoromethoxy)-1H-quinoline-3-carbaldehyde?
The canonical SMILES for 2-oxo-7-(trifluoromethoxy)-1H-quinoline-3-carbaldehyde is O=Cc1cc2ccc(OC(F)(F)F)cc2[nH]c1=O.
What is the InChIKey of 2-oxo-7-(trifluoromethoxy)-1H-quinoline-3-carbaldehyde?
The InChIKey is MMTIHNYILYRTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO3/c12-11(13,14)18-8-2-1-6-3-7(5-16)10(17)15-9(6)4-8/h1-5H,(H,15,17).
What are the key properties of 2-oxo-7-(trifluoromethoxy)-1H-quinoline-3-carbaldehyde?
2-oxo-7-(trifluoromethoxy)-1H-quinoline-3-carbaldehyde has a molecular weight of 257.17 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-7-(trifluoromethoxy)-1H-quinoline-3-carbaldehyde is sourced from PubChem (CID 143688170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).