methyl 2-[5-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate

C10H9ClF3NO4 — CID 134663085

IUPACmethyl 2-[5-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
SMILESCOC(=O)Cc1[nH]c(=O)c(CCl)cc1OC(F)(F)F
InChIInChI=1S/C10H9ClF3NO4/c1-18-8(16)3-6-7(19-10(12,13)14)2-5(4-11)9(17)15-6/h2H,3-4H2,1H3,(H,15,17)
InChIKeySRYXASRDERJZIW-UHFFFAOYSA-N
MW299.63 g/mol
LogP1.73
Rot. Bonds4

About methyl 2-[5-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate

methyl 2-[5-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate (PubChem CID 134663085) has the molecular formula C10H9ClF3NO4 and a molecular weight of 299.63 g/mol. Its IUPAC name is methyl 2-[5-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
PubChem CID134663085
Molecular FormulaC10H9ClF3NO4
Molecular Weight299.63 g/mol
Exact Mass299.02
IUPAC Namemethyl 2-[5-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
SMILESCOC(=O)Cc1[nH]c(=O)c(CCl)cc1OC(F)(F)F
InChIInChI=1S/C10H9ClF3NO4/c1-18-8(16)3-6-7(19-10(12,13)14)2-5(4-11)9(17)15-6/h2H,3-4H2,1H3,(H,15,17)
InChIKeySRYXASRDERJZIW-UHFFFAOYSA-N
XLogP1.73
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.63
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze methyl 2-[5-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-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

Related Compounds

methyl 2-[5-methyl-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134680985
methyl 2-[3-methyl-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134678346
methyl 2-[6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134681147
methyl 2-[2-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134677693
methyl 2-[3-methyl-6-oxo-4-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134658759
2-[6-(chloromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetonitrile
CID 118826793
methyl 2-[2-(chloromethyl)-6-iodo-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134679997
methyl 2-[6-(chloromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134679042
methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134662199
methyl 2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134680684
methyl 2-[3-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134664528
methyl 2-[2-(chloromethyl)-4,5-dimethylphenyl]acetate
CID 171020528

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate?
The IUPAC name of methyl 2-[5-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate (CID 134663085) is methyl 2-[5-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate?
The canonical SMILES for methyl 2-[5-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate is COC(=O)Cc1[nH]c(=O)c(CCl)cc1OC(F)(F)F.
What is the InChIKey of methyl 2-[5-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate?
The InChIKey is SRYXASRDERJZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO4/c1-18-8(16)3-6-7(19-10(12,13)14)2-5(4-11)9(17)15-6/h2H,3-4H2,1H3,(H,15,17).
What are the key properties of methyl 2-[5-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate?
methyl 2-[5-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate has a molecular weight of 299.63 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate is sourced from PubChem (CID 134663085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).