methyl 6-(fluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylate

C9H7F4NO4 — CID 134680790

IUPACmethyl 6-(fluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1cc(OC(F)(F)F)c(CF)[nH]c1=O
InChIInChI=1S/C9H7F4NO4/c1-17-8(16)4-2-6(18-9(11,12)13)5(3-10)14-7(4)15/h2H,3H2,1H3,(H,14,15)
InChIKeyQGOOGRNETRPYLE-UHFFFAOYSA-N
MW269.15 g/mol
LogP1.53
Rot. Bonds3

About methyl 6-(fluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylate

methyl 6-(fluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylate (PubChem CID 134680790) has the molecular formula C9H7F4NO4 and a molecular weight of 269.15 g/mol. Its IUPAC name is methyl 6-(fluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(fluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylate
PubChem CID134680790
Molecular FormulaC9H7F4NO4
Molecular Weight269.15 g/mol
Exact Mass269.03
IUPAC Namemethyl 6-(fluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1cc(OC(F)(F)F)c(CF)[nH]c1=O
InChIInChI=1S/C9H7F4NO4/c1-17-8(16)4-2-6(18-9(11,12)13)5(3-10)14-7(4)15/h2H,3H2,1H3,(H,14,15)
InChIKeyQGOOGRNETRPYLE-UHFFFAOYSA-N
XLogP1.53
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 6-(fluoromethyl)-2-oxo-5-(trifluoromethoxy)-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

methyl 2-[5-methyl-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134680985
methyl 6-(fluoromethyl)-2-iodo-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134661648
methyl 2-[5-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134663085
methyl 2,4-dibromo-5-(trifluoromethoxy)benzoate
CID 18925647
methyl 6-oxo-2-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 134659863
6-methoxy-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
CID 134665696
methyl 2-[3-methyl-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134678346
methyl 2-(fluoromethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677011
methyl 5-amino-4-fluoro-2-(trifluoromethoxy)benzoate
CID 134645588
methyl 4-cyano-5-(trifluoromethoxy)-2-(trifluoromethyl)benzoate
CID 134648198
methyl 6-(fluoromethyl)-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylate
CID 134660816
methyl 4-sulfanyl-2-(trifluoromethoxy)benzoate
CID 170999377

Frequently Asked Questions

What is the IUPAC name of methyl 6-(fluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 6-(fluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylate (CID 134680790) is methyl 6-(fluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(fluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(fluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylate is COC(=O)c1cc(OC(F)(F)F)c(CF)[nH]c1=O.
What is the InChIKey of methyl 6-(fluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylate?
The InChIKey is QGOOGRNETRPYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F4NO4/c1-17-8(16)4-2-6(18-9(11,12)13)5(3-10)14-7(4)15/h2H,3H2,1H3,(H,14,15).
What are the key properties of methyl 6-(fluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylate?
methyl 6-(fluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylate has a molecular weight of 269.15 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(fluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylate is sourced from PubChem (CID 134680790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).