methyl 2-[[6-amino-5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]acetate

C9H8ClF3N2O3 — CID 18923770

IUPACmethyl 2-[[6-amino-5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]acetate
SMILESCOC(=O)COc1nc(N)c(Cl)cc1C(F)(F)F
InChIInChI=1S/C9H8ClF3N2O3/c1-17-6(16)3-18-8-4(9(11,12)13)2-5(10)7(14)15-8/h2H,3H2,1H3,(H2,14,15)
InChIKeyYIMBAGIYPQLGCV-UHFFFAOYSA-N
MW284.62 g/mol
LogP1.89
Rot. Bonds3

About methyl 2-[[6-amino-5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]acetate

methyl 2-[[6-amino-5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]acetate (PubChem CID 18923770) has the molecular formula C9H8ClF3N2O3 and a molecular weight of 284.62 g/mol. Its IUPAC name is methyl 2-[[6-amino-5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[[6-amino-5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]acetate
PubChem CID18923770
Molecular FormulaC9H8ClF3N2O3
Molecular Weight284.62 g/mol
Exact Mass284.02
IUPAC Namemethyl 2-[[6-amino-5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]acetate
SMILESCOC(=O)COc1nc(N)c(Cl)cc1C(F)(F)F
InChIInChI=1S/C9H8ClF3N2O3/c1-17-6(16)3-18-8-4(9(11,12)13)2-5(10)7(14)15-8/h2H,3H2,1H3,(H2,14,15)
InChIKeyYIMBAGIYPQLGCV-UHFFFAOYSA-N
XLogP1.89
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.62
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[6-amino-5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]acetate with MolForge

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Related Compounds

methyl 2-[6-amino-5-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134683935
3-chloro-6-fluoro-5-(trifluoromethyl)pyridin-2-amine
CID 22101782
methyl 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097692
methyl 2-(3-amino-4-chlorophenoxy)acetate
CID 66717604
methyl 3-[3-chloro-4-(trifluoromethyl)phenyl]propanoate
CID 165488514
methyl 2-[2-amino-4-(trifluoromethyl)-3-pyridinyl]acetate
CID 133098182
methyl 2-[6-amino-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 134671583
methyl 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetate
CID 63320737
methyl 2-[2-iodo-6-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 134669964
methyl 2-(2-amino-4-chloro-5-methoxyphenoxy)acetate
CID 89053253
2-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl 2-chloroacetate
CID 54333779
methyl 2-[4-(2-aminopropyl)-2-(trifluoromethyl)phenoxy]acetate
CID 63320686

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-amino-5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]acetate?
The IUPAC name of methyl 2-[[6-amino-5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]acetate (CID 18923770) is methyl 2-[[6-amino-5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]acetate.
What is the SMILES notation for methyl 2-[[6-amino-5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]acetate?
The canonical SMILES for methyl 2-[[6-amino-5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]acetate is COC(=O)COc1nc(N)c(Cl)cc1C(F)(F)F.
What is the InChIKey of methyl 2-[[6-amino-5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]acetate?
The InChIKey is YIMBAGIYPQLGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2O3/c1-17-6(16)3-18-8-4(9(11,12)13)2-5(10)7(14)15-8/h2H,3H2,1H3,(H2,14,15).
What are the key properties of methyl 2-[[6-amino-5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]acetate?
methyl 2-[[6-amino-5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]acetate has a molecular weight of 284.62 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-amino-5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]acetate is sourced from PubChem (CID 18923770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).