methyl 2-[2-(aminomethyl)-4-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetate

C11H13F3N2O4 — CID 134668160

IUPACmethyl 2-[2-(aminomethyl)-4-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(OC)cc(OC(F)(F)F)nc1CN
InChIInChI=1S/C11H13F3N2O4/c1-18-8-4-9(20-11(12,13)14)16-7(5-15)6(8)3-10(17)19-2/h4H,3,5,15H2,1-2H3
InChIKeyJEFLMVIQKNPYEY-UHFFFAOYSA-N
MW294.23 g/mol
LogP1.16
Rot. Bonds5

About methyl 2-[2-(aminomethyl)-4-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetate

methyl 2-[2-(aminomethyl)-4-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetate (PubChem CID 134668160) has the molecular formula C11H13F3N2O4 and a molecular weight of 294.23 g/mol. Its IUPAC name is methyl 2-[2-(aminomethyl)-4-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(aminomethyl)-4-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetate
PubChem CID134668160
Molecular FormulaC11H13F3N2O4
Molecular Weight294.23 g/mol
Exact Mass294.08
IUPAC Namemethyl 2-[2-(aminomethyl)-4-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(OC)cc(OC(F)(F)F)nc1CN
InChIInChI=1S/C11H13F3N2O4/c1-18-8-4-9(20-11(12,13)14)16-7(5-15)6(8)3-10(17)19-2/h4H,3,5,15H2,1-2H3
InChIKeyJEFLMVIQKNPYEY-UHFFFAOYSA-N
XLogP1.16
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[6-amino-2-(aminomethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133086083
2-(aminomethyl)-4-methoxy-6-(trifluoromethoxy)pyridin-3-amine
CID 133086231
methyl 2-[4-methoxy-3-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134668272
methyl 2-[2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133085558
methyl 2-[6-amino-2-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133086081
ethyl 2-[2-(aminomethyl)-4-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134677110
methyl 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134665618
methyl 2-[3-(chloromethyl)-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134682639
methyl 2-[6-(aminomethyl)-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133085541
methyl 2-[5-amino-3-(aminomethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 133086099
[3-iodo-4-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134664598
methyl 2-[6-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134662110

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(aminomethyl)-4-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[2-(aminomethyl)-4-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetate (CID 134668160) is methyl 2-[2-(aminomethyl)-4-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[2-(aminomethyl)-4-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[2-(aminomethyl)-4-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetate is COC(=O)Cc1c(OC)cc(OC(F)(F)F)nc1CN.
What is the InChIKey of methyl 2-[2-(aminomethyl)-4-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetate?
The InChIKey is JEFLMVIQKNPYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4/c1-18-8-4-9(20-11(12,13)14)16-7(5-15)6(8)3-10(17)19-2/h4H,3,5,15H2,1-2H3.
What are the key properties of methyl 2-[2-(aminomethyl)-4-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetate?
methyl 2-[2-(aminomethyl)-4-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetate has a molecular weight of 294.23 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(aminomethyl)-4-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetate is sourced from PubChem (CID 134668160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).