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

C11H13F3N2O3 — CID 133085573

IUPACmethyl 2-[5-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(OC(F)(F)F)c(CN)cc1C
InChIInChI=1S/C11H13F3N2O3/c1-6-3-7(5-15)10(19-11(12,13)14)16-8(6)4-9(17)18-2/h3H,4-5,15H2,1-2H3
InChIKeyJCONYDLDXZVJCS-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.46
Rot. Bonds4

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

methyl 2-[5-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate (PubChem CID 133085573) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is methyl 2-[5-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate
PubChem CID133085573
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Namemethyl 2-[5-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(OC(F)(F)F)c(CN)cc1C
InChIInChI=1S/C11H13F3N2O3/c1-6-3-7(5-15)10(19-11(12,13)14)16-8(6)4-9(17)18-2/h3H,4-5,15H2,1-2H3
InChIKeyJCONYDLDXZVJCS-UHFFFAOYSA-N
XLogP1.46
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

methyl 2-[6-(aminomethyl)-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133085541
methyl 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134665618
methyl 2-[5-methoxy-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134679933
methyl 2-[5-amino-3-(aminomethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 133086099
methyl 2-[2-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134664757
ethyl 5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134660436
methyl 2-[2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133085558
methyl 2-[6-(aminomethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 134671474
methyl 2-[6-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134662110
[5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134678733
methyl 5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134683021
methyl 2-[5-hydroxy-2-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134658771

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate (CID 133085573) is methyl 2-[5-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate is COC(=O)Cc1nc(OC(F)(F)F)c(CN)cc1C.
What is the InChIKey of methyl 2-[5-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate?
The InChIKey is JCONYDLDXZVJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-6-3-7(5-15)10(19-11(12,13)14)16-8(6)4-9(17)18-2/h3H,4-5,15H2,1-2H3.
What are the key properties of methyl 2-[5-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate?
methyl 2-[5-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate has a molecular weight of 278.23 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate is sourced from PubChem (CID 133085573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).