methyl 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetate

C11H13F3N2O4 — CID 134665618

IUPACmethyl 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(OC(F)(F)F)c(CN)cc1OC
InChIInChI=1S/C11H13F3N2O4/c1-18-8-3-6(5-15)10(20-11(12,13)14)16-7(8)4-9(17)19-2/h3H,4-5,15H2,1-2H3
InChIKeyCPWAGCFYOJNAMU-UHFFFAOYSA-N
MW294.23 g/mol
LogP1.16
Rot. Bonds5

About methyl 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetate

methyl 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetate (PubChem CID 134665618) has the molecular formula C11H13F3N2O4 and a molecular weight of 294.23 g/mol. Its IUPAC name is methyl 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetate
PubChem CID134665618
Molecular FormulaC11H13F3N2O4
Molecular Weight294.23 g/mol
Exact Mass294.08
IUPAC Namemethyl 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(OC(F)(F)F)c(CN)cc1OC
InChIInChI=1S/C11H13F3N2O4/c1-18-8-3-6(5-15)10(20-11(12,13)14)16-7(8)4-9(17)19-2/h3H,4-5,15H2,1-2H3
InChIKeyCPWAGCFYOJNAMU-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-[5-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 133085573
methyl 2-[5-amino-3-(aminomethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 133086099
methyl 2-[5-methoxy-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134679933
methyl 2-[6-(aminomethyl)-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133085541
2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134666110
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
methyl 2-[2-(aminomethyl)-4-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668160
methyl 2-[6-(aminomethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 134671474
3-(aminomethyl)-5-methoxy-6-(trifluoromethoxy)pyridin-2-amine
CID 118990870
[5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134680161
methyl 2-[6-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134662110

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetate (CID 134665618) is methyl 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetate is COC(=O)Cc1nc(OC(F)(F)F)c(CN)cc1OC.
What is the InChIKey of methyl 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetate?
The InChIKey is CPWAGCFYOJNAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4/c1-18-8-3-6(5-15)10(20-11(12,13)14)16-7(8)4-9(17)19-2/h3H,4-5,15H2,1-2H3.
What are the key properties of methyl 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetate?
methyl 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-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-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetate is sourced from PubChem (CID 134665618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).