propyl 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylate

C10H10F3NO3 — CID 78929466

IUPACpropyl 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylate
SMILESCCCOC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H10F3NO3/c1-2-5-17-9(16)6-3-4-7(10(11,12)13)14-8(6)15/h3-4H,2,5H2,1H3,(H,14,15)
InChIKeyJSLYOBTXLRLNIO-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.96
Rot. Bonds3

About propyl 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylate

propyl 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylate (PubChem CID 78929466) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is propyl 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namepropyl 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylate
PubChem CID78929466
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Namepropyl 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylate
SMILESCCCOC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H10F3NO3/c1-2-5-17-9(16)6-3-4-7(10(11,12)13)14-8(6)15/h3-4H,2,5H2,1H3,(H,14,15)
InChIKeyJSLYOBTXLRLNIO-UHFFFAOYSA-N
XLogP1.96
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze propyl 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylate 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

2-oxo-N-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 81341001
tetrapropyl naphthalene-1,4,5,8-tetracarboxylate
CID 21270260
N-(2-amino-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
CID 119627243
propyl 2-(methylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 54305610
propyl 2-amino-3-methyl-4-(trifluoromethyl)benzoate
CID 80713538
propyl 3-oxo-1,2-thiazole-4-carboxylate
CID 123888774
N-(2-hydroxy-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 65110907
3-ethyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 89003285
propyl 2-amino-5-(trifluoromethyl)benzoate
CID 66270281
dipropyl naphthalene-1,4-dicarboxylate
CID 139070160
N-benzyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;ethane
CID 155571822
propyl 2-amino-3-methyl-4-(2,2,2-trifluoroethoxy)benzoate
CID 63101993

Frequently Asked Questions

What is the IUPAC name of propyl 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylate?
The IUPAC name of propyl 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylate (CID 78929466) is propyl 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylate.
What is the SMILES notation for propyl 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylate?
The canonical SMILES for propyl 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylate is CCCOC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of propyl 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylate?
The InChIKey is JSLYOBTXLRLNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-2-5-17-9(16)6-3-4-7(10(11,12)13)14-8(6)15/h3-4H,2,5H2,1H3,(H,14,15).
What are the key properties of propyl 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylate?
propyl 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylate has a molecular weight of 249.19 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylate is sourced from PubChem (CID 78929466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).