6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carbaldehyde

C9H5F6NO3 — CID 134680043

IUPAC6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(C(F)(F)F)c(OC(F)(F)F)n1
InChIInChI=1S/C9H5F6NO3/c1-18-5-2-4(3-17)6(8(10,11)12)7(16-5)19-9(13,14)15/h2-3H,1H3
InChIKeyDAQGIYNOWICULC-UHFFFAOYSA-N
MW289.13 g/mol
LogP2.82
Rot. Bonds3

About 6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carbaldehyde

6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carbaldehyde (PubChem CID 134680043) has the molecular formula C9H5F6NO3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carbaldehyde
PubChem CID134680043
Molecular FormulaC9H5F6NO3
Molecular Weight289.13 g/mol
Exact Mass289.02
IUPAC Name6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(C(F)(F)F)c(OC(F)(F)F)n1
InChIInChI=1S/C9H5F6NO3/c1-18-5-2-4(3-17)6(8(10,11)12)7(16-5)19-9(13,14)15/h2-3H,1H3
InChIKeyDAQGIYNOWICULC-UHFFFAOYSA-N
XLogP2.82
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carbaldehyde?
The IUPAC name of 6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carbaldehyde (CID 134680043) is 6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carbaldehyde?
The canonical SMILES for 6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carbaldehyde is COc1cc(C=O)c(C(F)(F)F)c(OC(F)(F)F)n1.
What is the InChIKey of 6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carbaldehyde?
The InChIKey is DAQGIYNOWICULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO3/c1-18-5-2-4(3-17)6(8(10,11)12)7(16-5)19-9(13,14)15/h2-3H,1H3.
What are the key properties of 6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carbaldehyde?
6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carbaldehyde has a molecular weight of 289.13 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 134680043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).