[2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl] 2-phenoxypyridine-3-carboxylate

C22H17F2NO5 — CID 16617205

IUPAC[2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
SMILESCc1ccc(OC(F)F)c(C(=O)COC(=O)c2cccnc2Oc2ccccc2)c1
InChIInChI=1S/C22H17F2NO5/c1-14-9-10-19(30-22(23)24)17(12-14)18(26)13-28-21(27)16-8-5-11-25-20(16)29-15-6-3-2-4-7-15/h2-12,22H,13H2,1H3
InChIKeyFMSABWXJBWMILZ-UHFFFAOYSA-N
MW413.38 g/mol
LogP4.82
Rot. Bonds8

About [2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl] 2-phenoxypyridine-3-carboxylate

[2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl] 2-phenoxypyridine-3-carboxylate (PubChem CID 16617205) has the molecular formula C22H17F2NO5 and a molecular weight of 413.38 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl] 2-phenoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
PubChem CID16617205
Molecular FormulaC22H17F2NO5
Molecular Weight413.38 g/mol
Exact Mass413.11
IUPAC Name[2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
SMILESCc1ccc(OC(F)F)c(C(=O)COC(=O)c2cccnc2Oc2ccccc2)c1
InChIInChI=1S/C22H17F2NO5/c1-14-9-10-19(30-22(23)24)17(12-14)18(26)13-28-21(27)16-8-5-11-25-20(16)29-15-6-3-2-4-7-15/h2-12,22H,13H2,1H3
InChIKeyFMSABWXJBWMILZ-UHFFFAOYSA-N
XLogP4.82
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.38
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl] 2-phenoxypyridine-3-carboxylate 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

[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
CID 18171085
(2-methoxy-5-methylphenyl)methyl 2-phenoxypyridine-3-carboxylate
CID 18197147
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
CID 55355394
[2-(difluoromethoxy)-5-methylphenyl]-pyridin-2-ylmethanone
CID 118836241
2-(2-fluorophenoxy)ethyl 2-phenoxypyridine-3-carboxylate
CID 39902767
ethyl 2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate
CID 54292965
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515362
[2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl] 4-methyl-3-nitrobenzoate
CID 18292783
1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenoxyethanone
CID 22612434
1-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-nitrophenoxy)ethanone
CID 4812944
(3-methylquinoxalin-2-yl)methyl 2-phenoxypyridine-3-carboxylate
CID 18171096
N-(3-methylphenyl)-2-phenoxypyridine-3-carboxamide
CID 24513585

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl] 2-phenoxypyridine-3-carboxylate?
The IUPAC name of [2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl] 2-phenoxypyridine-3-carboxylate (CID 16617205) is [2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl] 2-phenoxypyridine-3-carboxylate.
What is the SMILES notation for [2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl] 2-phenoxypyridine-3-carboxylate?
The canonical SMILES for [2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl] 2-phenoxypyridine-3-carboxylate is Cc1ccc(OC(F)F)c(C(=O)COC(=O)c2cccnc2Oc2ccccc2)c1.
What is the InChIKey of [2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl] 2-phenoxypyridine-3-carboxylate?
The InChIKey is FMSABWXJBWMILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2NO5/c1-14-9-10-19(30-22(23)24)17(12-14)18(26)13-28-21(27)16-8-5-11-25-20(16)29-15-6-3-2-4-7-15/h2-12,22H,13H2,1H3.
What are the key properties of [2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl] 2-phenoxypyridine-3-carboxylate?
[2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl] 2-phenoxypyridine-3-carboxylate has a molecular weight of 413.38 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl] 2-phenoxypyridine-3-carboxylate is sourced from PubChem (CID 16617205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).