methyl 2-[2-(3-chloro-4-fluorophenyl)-6-methyl-4-pyridinyl]acetate

C15H13ClFNO2 — CID 163438884

IUPACmethyl 2-[2-(3-chloro-4-fluorophenyl)-6-methyl-4-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C)nc(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H13ClFNO2/c1-9-5-10(7-15(19)20-2)6-14(18-9)11-3-4-13(17)12(16)8-11/h3-6,8H,7H2,1-2H3
InChIKeyAWVOFHQENDMHBY-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.57
Rot. Bonds3

About methyl 2-[2-(3-chloro-4-fluorophenyl)-6-methyl-4-pyridinyl]acetate

methyl 2-[2-(3-chloro-4-fluorophenyl)-6-methyl-4-pyridinyl]acetate (PubChem CID 163438884) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is methyl 2-[2-(3-chloro-4-fluorophenyl)-6-methyl-4-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(3-chloro-4-fluorophenyl)-6-methyl-4-pyridinyl]acetate
PubChem CID163438884
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Namemethyl 2-[2-(3-chloro-4-fluorophenyl)-6-methyl-4-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C)nc(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H13ClFNO2/c1-9-5-10(7-15(19)20-2)6-14(18-9)11-3-4-13(17)12(16)8-11/h3-6,8H,7H2,1-2H3
InChIKeyAWVOFHQENDMHBY-UHFFFAOYSA-N
XLogP3.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[2-(3-chloro-4-fluorophenyl)-6-methyl-4-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-[5-(3-chloro-4-fluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate
CID 11947914
[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol
CID 90062081
methyl 2-(3,5-dichloro-4-methylphenyl)acetate
CID 121228410
methyl 2-(3-chloro-4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306502
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932
methyl 3-[1-(3-chloro-4-fluorophenyl)ethylamino]propanoate
CID 43139693
4-(3-chloro-4-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136769988
methyl 2-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-3-fluorophenyl]acetate
CID 75452408
4-(3-chloro-4-fluorophenyl)-6-methoxypyrimidin-2-amine
CID 114052976
ethyl 2-[(3-chloro-4-fluorophenyl)methylamino]acetate
CID 62537294
2-bromo-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanone
CID 90062085
methyl (3R)-3-amino-3-(3-chloro-4-fluorophenyl)propanoate
CID 79021226

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3-chloro-4-fluorophenyl)-6-methyl-4-pyridinyl]acetate?
The IUPAC name of methyl 2-[2-(3-chloro-4-fluorophenyl)-6-methyl-4-pyridinyl]acetate (CID 163438884) is methyl 2-[2-(3-chloro-4-fluorophenyl)-6-methyl-4-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[2-(3-chloro-4-fluorophenyl)-6-methyl-4-pyridinyl]acetate?
The canonical SMILES for methyl 2-[2-(3-chloro-4-fluorophenyl)-6-methyl-4-pyridinyl]acetate is COC(=O)Cc1cc(C)nc(-c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of methyl 2-[2-(3-chloro-4-fluorophenyl)-6-methyl-4-pyridinyl]acetate?
The InChIKey is AWVOFHQENDMHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-9-5-10(7-15(19)20-2)6-14(18-9)11-3-4-13(17)12(16)8-11/h3-6,8H,7H2,1-2H3.
What are the key properties of methyl 2-[2-(3-chloro-4-fluorophenyl)-6-methyl-4-pyridinyl]acetate?
methyl 2-[2-(3-chloro-4-fluorophenyl)-6-methyl-4-pyridinyl]acetate has a molecular weight of 293.73 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3-chloro-4-fluorophenyl)-6-methyl-4-pyridinyl]acetate is sourced from PubChem (CID 163438884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).