methyl 2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate

C10H10F3NO3 — CID 142690489

IUPACmethyl 2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate
SMILESCOC(=O)Cc1c(C(F)(F)F)cc(C)[nH]c1=O
InChIInChI=1S/C10H10F3NO3/c1-5-3-7(10(11,12)13)6(9(16)14-5)4-8(15)17-2/h3H,4H2,1-2H3,(H,14,16)
InChIKeyMTKMUWNKEOGBNK-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.42
Rot. Bonds2

About methyl 2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate

methyl 2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate (PubChem CID 142690489) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is methyl 2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate
PubChem CID142690489
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Namemethyl 2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate
SMILESCOC(=O)Cc1c(C(F)(F)F)cc(C)[nH]c1=O
InChIInChI=1S/C10H10F3NO3/c1-5-3-7(10(11,12)13)6(9(16)14-5)4-8(15)17-2/h3H,4H2,1-2H3,(H,14,16)
InChIKeyMTKMUWNKEOGBNK-UHFFFAOYSA-N
XLogP1.42
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate?
The IUPAC name of methyl 2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate (CID 142690489) is methyl 2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate.
What is the SMILES notation for methyl 2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate?
The canonical SMILES for methyl 2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate is COC(=O)Cc1c(C(F)(F)F)cc(C)[nH]c1=O.
What is the InChIKey of methyl 2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate?
The InChIKey is MTKMUWNKEOGBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-5-3-7(10(11,12)13)6(9(16)14-5)4-8(15)17-2/h3H,4H2,1-2H3,(H,14,16).
What are the key properties of methyl 2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate?
methyl 2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate has a molecular weight of 249.19 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate is sourced from PubChem (CID 142690489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).