2-[2-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]isoindole-1,3-dione

C16H10ClF3N2O3 — CID 137369386

IUPAC2-[2-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOc1ncc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H10ClF3N2O3/c17-9-7-12(16(18,19)20)13(21-8-9)25-6-5-22-14(23)10-3-1-2-4-11(10)15(22)24/h1-4,7-8H,5-6H2
InChIKeyLDIBCAWEHZLHBG-UHFFFAOYSA-N
MW370.71 g/mol
LogP3.43
Rot. Bonds4

About 2-[2-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]isoindole-1,3-dione

2-[2-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]isoindole-1,3-dione (PubChem CID 137369386) has the molecular formula C16H10ClF3N2O3 and a molecular weight of 370.71 g/mol. Its IUPAC name is 2-[2-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]isoindole-1,3-dione
PubChem CID137369386
Molecular FormulaC16H10ClF3N2O3
Molecular Weight370.71 g/mol
Exact Mass370.03
IUPAC Name2-[2-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOc1ncc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H10ClF3N2O3/c17-9-7-12(16(18,19)20)13(21-8-9)25-6-5-22-14(23)10-3-1-2-4-11(10)15(22)24/h1-4,7-8H,5-6H2
InChIKeyLDIBCAWEHZLHBG-UHFFFAOYSA-N
XLogP3.43
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.71
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[2-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]isoindole-1,3-dione (CID 137369386) is 2-[2-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCOc1ncc(Cl)cc1C(F)(F)F.
What is the InChIKey of 2-[2-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]isoindole-1,3-dione?
The InChIKey is LDIBCAWEHZLHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O3/c17-9-7-12(16(18,19)20)13(21-8-9)25-6-5-22-14(23)10-3-1-2-4-11(10)15(22)24/h1-4,7-8H,5-6H2.
What are the key properties of 2-[2-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]isoindole-1,3-dione?
2-[2-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]isoindole-1,3-dione has a molecular weight of 370.71 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 137369386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).