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

C11H13F3N2O3 — CID 133085541

IUPACmethyl 2-[6-(aminomethyl)-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C)c(CN)nc1OC(F)(F)F
InChIInChI=1S/C11H13F3N2O3/c1-6-3-7(4-9(17)18-2)10(16-8(6)5-15)19-11(12,13)14/h3H,4-5,15H2,1-2H3
InChIKeyYUNKREBFYJNNKQ-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.46
Rot. Bonds4

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

methyl 2-[6-(aminomethyl)-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate (PubChem CID 133085541) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is methyl 2-[6-(aminomethyl)-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(aminomethyl)-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate
PubChem CID133085541
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Namemethyl 2-[6-(aminomethyl)-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C)c(CN)nc1OC(F)(F)F
InChIInChI=1S/C11H13F3N2O3/c1-6-3-7(4-9(17)18-2)10(16-8(6)5-15)19-11(12,13)14/h3H,4-5,15H2,1-2H3
InChIKeyYUNKREBFYJNNKQ-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

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Related Compounds

methyl 2-[5-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 133085573
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-(aminomethyl)-6-methyl-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133085558
methyl 2-[2-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134664757
methyl 2-[6-(aminomethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 134671474
methyl 2-[6-amino-2-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133086081
ethyl 2-[5-amino-2-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133086160
methyl 2-[6-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134662110
2-[6-(aminomethyl)-5-methyl-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118836988
methyl 2-[6-amino-2-(aminomethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133086083

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(aminomethyl)-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-(aminomethyl)-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate (CID 133085541) is methyl 2-[6-(aminomethyl)-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-(aminomethyl)-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-(aminomethyl)-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate is COC(=O)Cc1cc(C)c(CN)nc1OC(F)(F)F.
What is the InChIKey of methyl 2-[6-(aminomethyl)-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate?
The InChIKey is YUNKREBFYJNNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-6-3-7(4-9(17)18-2)10(16-8(6)5-15)19-11(12,13)14/h3H,4-5,15H2,1-2H3.
What are the key properties of methyl 2-[6-(aminomethyl)-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate?
methyl 2-[6-(aminomethyl)-5-methyl-2-(trifluoromethoxy)-3-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-[6-(aminomethyl)-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate is sourced from PubChem (CID 133085541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).