methyl 2-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]acetate

C10H11F3N2O2 — CID 55134619

IUPACmethyl 2-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]acetate
SMILESCOC(=O)CN(C)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N2O2/c1-15(6-9(16)17-2)8-5-3-4-7(14-8)10(11,12)13/h3-5H,6H2,1-2H3
InChIKeyQOVRNOHHUPQDIN-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.71
Rot. Bonds3

About methyl 2-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]acetate

methyl 2-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]acetate (PubChem CID 55134619) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is methyl 2-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]acetate
PubChem CID55134619
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Namemethyl 2-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]acetate
SMILESCOC(=O)CN(C)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N2O2/c1-15(6-9(16)17-2)8-5-3-4-7(14-8)10(11,12)13/h3-5H,6H2,1-2H3
InChIKeyQOVRNOHHUPQDIN-UHFFFAOYSA-N
XLogP1.71
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]acetate (CID 55134619) is methyl 2-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]acetate is COC(=O)CN(C)c1cccc(C(F)(F)F)n1.
What is the InChIKey of methyl 2-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]acetate?
The InChIKey is QOVRNOHHUPQDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-15(6-9(16)17-2)8-5-3-4-7(14-8)10(11,12)13/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]acetate?
methyl 2-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]acetate has a molecular weight of 248.20 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]acetate is sourced from PubChem (CID 55134619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).