2-chloro-4-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]pyridine

C17H10ClF3N2O — CID 18784493

IUPAC2-chloro-4-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]pyridine
SMILESFC(F)(F)c1cccc(-c2cccc(Oc3ccnc(Cl)c3)n2)c1
InChIInChI=1S/C17H10ClF3N2O/c18-15-10-13(7-8-22-15)24-16-6-2-5-14(23-16)11-3-1-4-12(9-11)17(19,20)21/h1-10H
InChIKeyLYLPRQQRCACYDF-UHFFFAOYSA-N
MW350.73 g/mol
LogP5.61
Rot. Bonds3

About 2-chloro-4-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]pyridine

2-chloro-4-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]pyridine (PubChem CID 18784493) has the molecular formula C17H10ClF3N2O and a molecular weight of 350.73 g/mol. Its IUPAC name is 2-chloro-4-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]pyridine.

Molecular Properties

Compound Name2-chloro-4-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]pyridine
PubChem CID18784493
Molecular FormulaC17H10ClF3N2O
Molecular Weight350.73 g/mol
Exact Mass350.04
IUPAC Name2-chloro-4-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]pyridine
SMILESFC(F)(F)c1cccc(-c2cccc(Oc3ccnc(Cl)c3)n2)c1
InChIInChI=1S/C17H10ClF3N2O/c18-15-10-13(7-8-22-15)24-16-6-2-5-14(23-16)11-3-1-4-12(9-11)17(19,20)21/h1-10H
InChIKeyLYLPRQQRCACYDF-UHFFFAOYSA-N
XLogP5.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.73
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]pyridine?
The IUPAC name of 2-chloro-4-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]pyridine (CID 18784493) is 2-chloro-4-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]pyridine.
What is the SMILES notation for 2-chloro-4-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]pyridine?
The canonical SMILES for 2-chloro-4-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]pyridine is FC(F)(F)c1cccc(-c2cccc(Oc3ccnc(Cl)c3)n2)c1.
What is the InChIKey of 2-chloro-4-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]pyridine?
The InChIKey is LYLPRQQRCACYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N2O/c18-15-10-13(7-8-22-15)24-16-6-2-5-14(23-16)11-3-1-4-12(9-11)17(19,20)21/h1-10H.
What are the key properties of 2-chloro-4-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]pyridine?
2-chloro-4-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]pyridine has a molecular weight of 350.73 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]pyridine is sourced from PubChem (CID 18784493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).