6-methoxy-2-(trifluoromethyl)quinoline-3-carbaldehyde

C12H8F3NO2 — CID 88861626

IUPAC6-methoxy-2-(trifluoromethyl)quinoline-3-carbaldehyde
SMILESCOc1ccc2nc(C(F)(F)F)c(C=O)cc2c1
InChIInChI=1S/C12H8F3NO2/c1-18-9-2-3-10-7(5-9)4-8(6-17)11(16-10)12(13,14)15/h2-6H,1H3
InChIKeyVCQPAWCBYPFXIQ-UHFFFAOYSA-N
MW255.19 g/mol
LogP3.07
Rot. Bonds2

About 6-methoxy-2-(trifluoromethyl)quinoline-3-carbaldehyde

6-methoxy-2-(trifluoromethyl)quinoline-3-carbaldehyde (PubChem CID 88861626) has the molecular formula C12H8F3NO2 and a molecular weight of 255.19 g/mol. Its IUPAC name is 6-methoxy-2-(trifluoromethyl)quinoline-3-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-2-(trifluoromethyl)quinoline-3-carbaldehyde
PubChem CID88861626
Molecular FormulaC12H8F3NO2
Molecular Weight255.19 g/mol
Exact Mass255.05
IUPAC Name6-methoxy-2-(trifluoromethyl)quinoline-3-carbaldehyde
SMILESCOc1ccc2nc(C(F)(F)F)c(C=O)cc2c1
InChIInChI=1S/C12H8F3NO2/c1-18-9-2-3-10-7(5-9)4-8(6-17)11(16-10)12(13,14)15/h2-6H,1H3
InChIKeyVCQPAWCBYPFXIQ-UHFFFAOYSA-N
XLogP3.07
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 53.07
H-Bond Donors ≤ 50
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-methoxy-2-(trifluoromethyl)quinoline-3-carbaldehyde?
The IUPAC name of 6-methoxy-2-(trifluoromethyl)quinoline-3-carbaldehyde (CID 88861626) is 6-methoxy-2-(trifluoromethyl)quinoline-3-carbaldehyde.
What is the SMILES notation for 6-methoxy-2-(trifluoromethyl)quinoline-3-carbaldehyde?
The canonical SMILES for 6-methoxy-2-(trifluoromethyl)quinoline-3-carbaldehyde is COc1ccc2nc(C(F)(F)F)c(C=O)cc2c1.
What is the InChIKey of 6-methoxy-2-(trifluoromethyl)quinoline-3-carbaldehyde?
The InChIKey is VCQPAWCBYPFXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2/c1-18-9-2-3-10-7(5-9)4-8(6-17)11(16-10)12(13,14)15/h2-6H,1H3.
What are the key properties of 6-methoxy-2-(trifluoromethyl)quinoline-3-carbaldehyde?
6-methoxy-2-(trifluoromethyl)quinoline-3-carbaldehyde has a molecular weight of 255.19 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(trifluoromethyl)quinoline-3-carbaldehyde is sourced from PubChem (CID 88861626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).