methyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate

C10H10F3NO3 — CID 133097191

IUPACmethyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(OC)cnc1C(F)(F)F
InChIInChI=1S/C10H10F3NO3/c1-16-7-3-6(4-8(15)17-2)9(14-5-7)10(11,12)13/h3,5H,4H2,1-2H3
InChIKeyHEWMSVJPSJPDDJ-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.82
Rot. Bonds3

About methyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate

methyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate (PubChem CID 133097191) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is methyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate
PubChem CID133097191
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Namemethyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(OC)cnc1C(F)(F)F
InChIInChI=1S/C10H10F3NO3/c1-16-7-3-6(4-8(15)17-2)9(14-5-7)10(11,12)13/h3,5H,4H2,1-2H3
InChIKeyHEWMSVJPSJPDDJ-UHFFFAOYSA-N
XLogP1.82
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 133096845
methyl 2-(3-bromo-5-methoxy-2-pyridinyl)acetate
CID 133098119
methyl 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133097179
ethyl 2-(2-amino-5-methoxy-3-pyridinyl)acetate
CID 170599003
methyl 2-(3-bromo-5-methoxy-2-methylphenyl)acetate
CID 154729409
methyl 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097692
methyl 2-[3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133100816
methyl 2-[5-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 171029223
methyl 2-[5-cyano-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133097366
methyl 2-[6-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 133100111
methyl 2-[4-bromo-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097930
methyl 2-[2-bromo-5-(trifluoromethyl)-4-pyridinyl]acetate
CID 133097925

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate (CID 133097191) is methyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate is COC(=O)Cc1cc(OC)cnc1C(F)(F)F.
What is the InChIKey of methyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate?
The InChIKey is HEWMSVJPSJPDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-16-7-3-6(4-8(15)17-2)9(14-5-7)10(11,12)13/h3,5H,4H2,1-2H3.
What are the key properties of methyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate?
methyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate has a molecular weight of 249.19 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 133097191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).