2,6-bis[3-(trifluoromethyl)phenoxy]pyridine-3-carbaldehyde

C20H11F6NO3 — CID 57430037

IUPAC2,6-bis[3-(trifluoromethyl)phenoxy]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(Oc2cccc(C(F)(F)F)c2)nc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H11F6NO3/c21-19(22,23)13-3-1-5-15(9-13)29-17-8-7-12(11-28)18(27-17)30-16-6-2-4-14(10-16)20(24,25)26/h1-11H
InChIKeyOZMXXQDEAZIXLC-UHFFFAOYSA-N
MW427.30 g/mol
LogP6.52
Rot. Bonds5

About 2,6-bis[3-(trifluoromethyl)phenoxy]pyridine-3-carbaldehyde

2,6-bis[3-(trifluoromethyl)phenoxy]pyridine-3-carbaldehyde (PubChem CID 57430037) has the molecular formula C20H11F6NO3 and a molecular weight of 427.30 g/mol. Its IUPAC name is 2,6-bis[3-(trifluoromethyl)phenoxy]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2,6-bis[3-(trifluoromethyl)phenoxy]pyridine-3-carbaldehyde
PubChem CID57430037
Molecular FormulaC20H11F6NO3
Molecular Weight427.30 g/mol
Exact Mass427.06
IUPAC Name2,6-bis[3-(trifluoromethyl)phenoxy]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(Oc2cccc(C(F)(F)F)c2)nc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H11F6NO3/c21-19(22,23)13-3-1-5-15(9-13)29-17-8-7-12(11-28)18(27-17)30-16-6-2-4-14(10-16)20(24,25)26/h1-11H
InChIKeyOZMXXQDEAZIXLC-UHFFFAOYSA-N
XLogP6.52
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.30
LogP ≤ 56.52
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 2,6-bis[3-(trifluoromethyl)phenoxy]pyridine-3-carbaldehyde?
The IUPAC name of 2,6-bis[3-(trifluoromethyl)phenoxy]pyridine-3-carbaldehyde (CID 57430037) is 2,6-bis[3-(trifluoromethyl)phenoxy]pyridine-3-carbaldehyde.
What is the SMILES notation for 2,6-bis[3-(trifluoromethyl)phenoxy]pyridine-3-carbaldehyde?
The canonical SMILES for 2,6-bis[3-(trifluoromethyl)phenoxy]pyridine-3-carbaldehyde is O=Cc1ccc(Oc2cccc(C(F)(F)F)c2)nc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,6-bis[3-(trifluoromethyl)phenoxy]pyridine-3-carbaldehyde?
The InChIKey is OZMXXQDEAZIXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F6NO3/c21-19(22,23)13-3-1-5-15(9-13)29-17-8-7-12(11-28)18(27-17)30-16-6-2-4-14(10-16)20(24,25)26/h1-11H.
What are the key properties of 2,6-bis[3-(trifluoromethyl)phenoxy]pyridine-3-carbaldehyde?
2,6-bis[3-(trifluoromethyl)phenoxy]pyridine-3-carbaldehyde has a molecular weight of 427.30 g/mol, XLogP of 6.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3-(trifluoromethyl)phenoxy]pyridine-3-carbaldehyde is sourced from PubChem (CID 57430037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).