methyl 2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoroacetyl)pyridine-4-carboxylate

C16H11F4NO3 — CID 144796299

IUPACmethyl 2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoroacetyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C(=O)C(F)(F)F)nc(-c2ccc(F)c(C)c2)c1
InChIInChI=1S/C16H11F4NO3/c1-8-5-9(3-4-11(8)17)12-6-10(15(23)24-2)7-13(21-12)14(22)16(18,19)20/h3-7H,1-2H3
InChIKeyILOMMOXLYPEVBO-UHFFFAOYSA-N
MW341.26 g/mol
LogP3.73
Rot. Bonds3

About methyl 2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoroacetyl)pyridine-4-carboxylate

methyl 2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoroacetyl)pyridine-4-carboxylate (PubChem CID 144796299) has the molecular formula C16H11F4NO3 and a molecular weight of 341.26 g/mol. Its IUPAC name is methyl 2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoroacetyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoroacetyl)pyridine-4-carboxylate
PubChem CID144796299
Molecular FormulaC16H11F4NO3
Molecular Weight341.26 g/mol
Exact Mass341.07
IUPAC Namemethyl 2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoroacetyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C(=O)C(F)(F)F)nc(-c2ccc(F)c(C)c2)c1
InChIInChI=1S/C16H11F4NO3/c1-8-5-9(3-4-11(8)17)12-6-10(15(23)24-2)7-13(21-12)14(22)16(18,19)20/h3-7H,1-2H3
InChIKeyILOMMOXLYPEVBO-UHFFFAOYSA-N
XLogP3.73
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoroacetyl)pyridine-4-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 2,6-diphenylpyridine-4-carboxylate
CID 12183952
3-(6-Methyl-pyridin-2-ylethynyl)-benzoic acid methyl ester
CID 44392436
Ethyl 2-methyl-6-[3-(trifluoromethyl)phenyl]nicotinate
CID 4562751
Methyl 6-fluoro-8-methylquinoline-2-carboxylate
CID 51361074
Propan-2-yl 5-fluoro-6-phenylpyridine-2-carboxylate
CID 91758799
Methyl 4-(6-formylpyridin-2-yl)benzoate
CID 16217949
Ethyl 5-phenyl-3-propan-2-yl-6-(trifluoromethyl)pyridine-2-carboxylate
CID 12185225
Ethyl 3-[[5-(trifluoromethyl)pyridin-2-yl]methyl]benzoate
CID 134833479
Methyl 2-(3-(trifluoromethyl)phenyl)quinoline-4-carboxylate
CID 152484052
Methyl 2-phenyl-6-(trifluoromethyl)quinoline-4-carboxylate
CID 170564951
Ethyl 6-phenylpyridine-2-carboxylate
CID 14899386
Methyl 3-[6-(trifluoromethyl)-2-pyridinyl]benzoate
CID 50976423

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoroacetyl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoroacetyl)pyridine-4-carboxylate (CID 144796299) is methyl 2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoroacetyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoroacetyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoroacetyl)pyridine-4-carboxylate is COC(=O)c1cc(C(=O)C(F)(F)F)nc(-c2ccc(F)c(C)c2)c1.
What is the InChIKey of methyl 2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoroacetyl)pyridine-4-carboxylate?
The InChIKey is ILOMMOXLYPEVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4NO3/c1-8-5-9(3-4-11(8)17)12-6-10(15(23)24-2)7-13(21-12)14(22)16(18,19)20/h3-7H,1-2H3.
What are the key properties of methyl 2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoroacetyl)pyridine-4-carboxylate?
methyl 2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoroacetyl)pyridine-4-carboxylate has a molecular weight of 341.26 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoroacetyl)pyridine-4-carboxylate is sourced from PubChem (CID 144796299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).