6-[2-(trifluoromethoxy)phenoxy]pyridine-3-carbaldehyde

C13H8F3NO3 — CID 172879445

IUPAC6-[2-(trifluoromethoxy)phenoxy]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(Oc2ccccc2OC(F)(F)F)nc1
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)20-11-4-2-1-3-10(11)19-12-6-5-9(8-18)7-17-12/h1-8H
InChIKeyHOCJYDVROYJCGL-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.59
Rot. Bonds4

About 6-[2-(trifluoromethoxy)phenoxy]pyridine-3-carbaldehyde

6-[2-(trifluoromethoxy)phenoxy]pyridine-3-carbaldehyde (PubChem CID 172879445) has the molecular formula C13H8F3NO3 and a molecular weight of 283.21 g/mol. Its IUPAC name is 6-[2-(trifluoromethoxy)phenoxy]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[2-(trifluoromethoxy)phenoxy]pyridine-3-carbaldehyde
PubChem CID172879445
Molecular FormulaC13H8F3NO3
Molecular Weight283.21 g/mol
Exact Mass283.05
IUPAC Name6-[2-(trifluoromethoxy)phenoxy]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(Oc2ccccc2OC(F)(F)F)nc1
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)20-11-4-2-1-3-10(11)19-12-6-5-9(8-18)7-17-12/h1-8H
InChIKeyHOCJYDVROYJCGL-UHFFFAOYSA-N
XLogP3.59
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.59
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-[2-(trifluoromethoxy)phenoxy]pyridine-3-carbaldehyde?
The IUPAC name of 6-[2-(trifluoromethoxy)phenoxy]pyridine-3-carbaldehyde (CID 172879445) is 6-[2-(trifluoromethoxy)phenoxy]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[2-(trifluoromethoxy)phenoxy]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[2-(trifluoromethoxy)phenoxy]pyridine-3-carbaldehyde is O=Cc1ccc(Oc2ccccc2OC(F)(F)F)nc1.
What is the InChIKey of 6-[2-(trifluoromethoxy)phenoxy]pyridine-3-carbaldehyde?
The InChIKey is HOCJYDVROYJCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO3/c14-13(15,16)20-11-4-2-1-3-10(11)19-12-6-5-9(8-18)7-17-12/h1-8H.
What are the key properties of 6-[2-(trifluoromethoxy)phenoxy]pyridine-3-carbaldehyde?
6-[2-(trifluoromethoxy)phenoxy]pyridine-3-carbaldehyde has a molecular weight of 283.21 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(trifluoromethoxy)phenoxy]pyridine-3-carbaldehyde is sourced from PubChem (CID 172879445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).