methyl 2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetate

C10H10F3NO2 — CID 118627260

IUPACmethyl 2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C(F)(F)F)cc(C)n1
InChIInChI=1S/C10H10F3NO2/c1-6-3-7(10(11,12)13)4-8(14-6)5-9(15)16-2/h3-4H,5H2,1-2H3
InChIKeyMIMABYMBDJJARC-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.12
Rot. Bonds2

About methyl 2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetate

methyl 2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetate (PubChem CID 118627260) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is methyl 2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetate
PubChem CID118627260
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Namemethyl 2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C(F)(F)F)cc(C)n1
InChIInChI=1S/C10H10F3NO2/c1-6-3-7(10(11,12)13)4-8(14-6)5-9(15)16-2/h3-4H,5H2,1-2H3
InChIKeyMIMABYMBDJJARC-UHFFFAOYSA-N
XLogP2.12
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetate (CID 118627260) is methyl 2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1cc(C(F)(F)F)cc(C)n1.
What is the InChIKey of methyl 2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetate?
The InChIKey is MIMABYMBDJJARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-6-3-7(10(11,12)13)4-8(14-6)5-9(15)16-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetate?
methyl 2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetate has a molecular weight of 233.19 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 118627260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).