methyl 2-[4-hydroxy-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]acetate

C16H14F3NO4 — CID 54675993

IUPACmethyl 2-[4-hydroxy-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(O)ccn(Cc2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C16H14F3NO4/c1-24-14(22)8-12-13(21)5-6-20(15(12)23)9-10-3-2-4-11(7-10)16(17,18)19/h2-7,21H,8-9H2,1H3
InChIKeyPCAICSIJKYQOEF-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.34
Rot. Bonds4

About methyl 2-[4-hydroxy-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]acetate

methyl 2-[4-hydroxy-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]acetate (PubChem CID 54675993) has the molecular formula C16H14F3NO4 and a molecular weight of 341.29 g/mol. Its IUPAC name is methyl 2-[4-hydroxy-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-hydroxy-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]acetate
PubChem CID54675993
Molecular FormulaC16H14F3NO4
Molecular Weight341.29 g/mol
Exact Mass341.09
IUPAC Namemethyl 2-[4-hydroxy-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(O)ccn(Cc2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C16H14F3NO4/c1-24-14(22)8-12-13(21)5-6-20(15(12)23)9-10-3-2-4-11(7-10)16(17,18)19/h2-7,21H,8-9H2,1H3
InChIKeyPCAICSIJKYQOEF-UHFFFAOYSA-N
XLogP2.34
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-hydroxy-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]acetate 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-[4-hydroxy-1-(naphthalen-1-ylmethyl)-2-oxo-3-pyridinyl]acetate
CID 54682655
methyl 2-[3-(trifluoromethyl)phenyl]acetate;molecular nitrogen
CID 175534080
methyl 4-oxo-5-[3-(trifluoromethyl)phenyl]pentanoate
CID 63900904
N-(4-acetamidophenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 26843705
N-(2,6-dimethylphenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 7598829
2-methoxy-N-[5-methyl-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]acetamide
CID 6488675
methyl (3R)-3-methyl-4-oxo-4-[[3-(trifluoromethyl)phenyl]methylamino]butanoate
CID 68614015
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 79617609
methyl 2-[5-(hydroxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]sulfanylacetate
CID 42795536
N-(2,6-dimethylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8697298
2,4-dioxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxylic acid
CID 115114703
N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119104482

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-hydroxy-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[4-hydroxy-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]acetate (CID 54675993) is methyl 2-[4-hydroxy-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[4-hydroxy-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[4-hydroxy-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]acetate is COC(=O)Cc1c(O)ccn(Cc2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of methyl 2-[4-hydroxy-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]acetate?
The InChIKey is PCAICSIJKYQOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO4/c1-24-14(22)8-12-13(21)5-6-20(15(12)23)9-10-3-2-4-11(7-10)16(17,18)19/h2-7,21H,8-9H2,1H3.
What are the key properties of methyl 2-[4-hydroxy-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]acetate?
methyl 2-[4-hydroxy-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]acetate has a molecular weight of 341.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-hydroxy-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]acetate is sourced from PubChem (CID 54675993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).