2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carbaldehyde

C14H7F6NO2 — CID 118819307

IUPAC2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(C(F)(F)F)nc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H7F6NO2/c15-13(16,17)11-6-5-8(7-22)12(21-11)9-3-1-2-4-10(9)23-14(18,19)20/h1-7H
InChIKeyAMLMDSSSXXZMRK-UHFFFAOYSA-N
MW335.20 g/mol
LogP4.48
Rot. Bonds3

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

2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 118819307) has the molecular formula C14H7F6NO2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID118819307
Molecular FormulaC14H7F6NO2
Molecular Weight335.20 g/mol
Exact Mass335.04
IUPAC Name2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(C(F)(F)F)nc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H7F6NO2/c15-13(16,17)11-6-5-8(7-22)12(21-11)9-3-1-2-4-10(9)23-14(18,19)20/h1-7H
InChIKeyAMLMDSSSXXZMRK-UHFFFAOYSA-N
XLogP4.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 54.48
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 2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carbaldehyde (CID 118819307) is 2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carbaldehyde is O=Cc1ccc(C(F)(F)F)nc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is AMLMDSSSXXZMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F6NO2/c15-13(16,17)11-6-5-8(7-22)12(21-11)9-3-1-2-4-10(9)23-14(18,19)20/h1-7H.
What are the key properties of 2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carbaldehyde?
2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 335.20 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 118819307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).