methyl 2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate

C17H15F3N2O4 — CID 6620818

IUPACmethyl 2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate
SMILESCOC(=O)c1ccccc1Oc1c(F)c(F)nc(N2CCOCC2)c1F
InChIInChI=1S/C17H15F3N2O4/c1-24-17(23)10-4-2-3-5-11(10)26-14-12(18)15(20)21-16(13(14)19)22-6-8-25-9-7-22/h2-5H,6-9H2,1H3
InChIKeyZVJNLJJBXZAHGC-UHFFFAOYSA-N
MW368.31 g/mol
LogP2.91
Rot. Bonds4

About methyl 2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate

methyl 2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate (PubChem CID 6620818) has the molecular formula C17H15F3N2O4 and a molecular weight of 368.31 g/mol. Its IUPAC name is methyl 2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate
PubChem CID6620818
Molecular FormulaC17H15F3N2O4
Molecular Weight368.31 g/mol
Exact Mass368.10
IUPAC Namemethyl 2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate
SMILESCOC(=O)c1ccccc1Oc1c(F)c(F)nc(N2CCOCC2)c1F
InChIInChI=1S/C17H15F3N2O4/c1-24-17(23)10-4-2-3-5-11(10)26-14-12(18)15(20)21-16(13(14)19)22-6-8-25-9-7-22/h2-5H,6-9H2,1H3
InChIKeyZVJNLJJBXZAHGC-UHFFFAOYSA-N
XLogP2.91
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate with MolForge

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

Launch Full Analysis

Related Compounds

4-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl benzoate
CID 53320294
(2-Ethoxyphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 4878784
Ethyl 2-[2,3,5-trifluoro-6-(2-hydroxyethylamino)pyridin-4-yl]oxybenzoate
CID 6620823
Methyl 4-[(2,3,5-trifluoro-6-morpholin-4-ylpyridin-4-yl)oxy]benzoate
CID 2055301
2-((4-Fluoro-2-methylphenoxy)methyl)-6-morpholinoisonicotinic acid
CID 44138035
2-((4-Fluoro-2-methylphenoxy)methyl)-6-morpholinoisonicotinamide
CID 44592171
Ethyl 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxylate
CID 44592172
4-[3,5,6-Trifluoro-4-(4-methylphenoxy)-2-pyridinyl]morpholine
CID 3649932
Methyl 2-{[2,3,5-trifluoro-6-(piperidin-1-YL)pyridin-4-YL]oxy}benzoate
CID 45105931
Methyl 4-{[2,3,5-trifluoro-6-(piperidin-1-YL)pyridin-4-YL]oxy}benzoate
CID 46499619
6-[(2,4-difluorophenoxy)methyl]-1-[(1S)-1-(hydroxymethyl)-2-methyl-propyl]-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 70667059
Ethyl 2-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate
CID 4520750

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate?
The IUPAC name of methyl 2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate (CID 6620818) is methyl 2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate.
What is the SMILES notation for methyl 2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate?
The canonical SMILES for methyl 2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate is COC(=O)c1ccccc1Oc1c(F)c(F)nc(N2CCOCC2)c1F.
What is the InChIKey of methyl 2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate?
The InChIKey is ZVJNLJJBXZAHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O4/c1-24-17(23)10-4-2-3-5-11(10)26-14-12(18)15(20)21-16(13(14)19)22-6-8-25-9-7-22/h2-5H,6-9H2,1H3.
What are the key properties of methyl 2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate?
methyl 2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate has a molecular weight of 368.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate is sourced from PubChem (CID 6620818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).