methyl 3-(2,4-dichlorophenyl)-3-methoxy-2-(6-methyl-2-pyridinyl)propanoate

C17H17Cl2NO3 — CID 605155

IUPACmethyl 3-(2,4-dichlorophenyl)-3-methoxy-2-(6-methyl-2-pyridinyl)propanoate
SMILESCOC(=O)C(c1cccc(C)n1)C(OC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2NO3/c1-10-5-4-6-14(20-10)15(17(21)23-3)16(22-2)12-8-7-11(18)9-13(12)19/h4-9,15-16H,1-3H3
InChIKeyMUCAQXRWUDENAL-UHFFFAOYSA-N
MW354.23 g/mol
LogP4.34
Rot. Bonds5

About methyl 3-(2,4-dichlorophenyl)-3-methoxy-2-(6-methyl-2-pyridinyl)propanoate

methyl 3-(2,4-dichlorophenyl)-3-methoxy-2-(6-methyl-2-pyridinyl)propanoate (PubChem CID 605155) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is methyl 3-(2,4-dichlorophenyl)-3-methoxy-2-(6-methyl-2-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2,4-dichlorophenyl)-3-methoxy-2-(6-methyl-2-pyridinyl)propanoate
PubChem CID605155
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC Namemethyl 3-(2,4-dichlorophenyl)-3-methoxy-2-(6-methyl-2-pyridinyl)propanoate
SMILESCOC(=O)C(c1cccc(C)n1)C(OC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2NO3/c1-10-5-4-6-14(20-10)15(17(21)23-3)16(22-2)12-8-7-11(18)9-13(12)19/h4-9,15-16H,1-3H3
InChIKeyMUCAQXRWUDENAL-UHFFFAOYSA-N
XLogP4.34
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-(2,4-dichlorophenyl)-3-methoxy-2-(6-methyl-2-pyridinyl)propanoate 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

(2,4-dichlorophenyl)-(6-methyl-2-pyridinyl)methanol
CID 114281098
N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-N-oxidohydroxylamine
CID 163640824
methyl 2-(2,4-dichlorophenyl)pent-4-enoate
CID 21499630
(2,4-dichlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanol
CID 167910776
2-(2,4-dichlorophenyl)-2-methoxy-1-(2-methyl-3-pyridinyl)ethanol
CID 54028820
methyl 2-(2,4-dichlorophenyl)-2-(2-fluoroanilino)acetate
CID 61001245
methyl 2-(2,4-dichlorophenyl)-4-methyl-3-oxo-4-sulfanylpentanoate
CID 21216935
3-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111074267
methyl (2S)-4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)butanoate
CID 125465921
(3-chlorophenyl)-(6-methyl-2-pyridinyl)methanamine
CID 63555430
methyl 2-[1-(2,4-dichlorophenyl)propylamino]propanoate
CID 60780834
methyl 2-(2,4-dichlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]acetate
CID 86788263

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,4-dichlorophenyl)-3-methoxy-2-(6-methyl-2-pyridinyl)propanoate?
The IUPAC name of methyl 3-(2,4-dichlorophenyl)-3-methoxy-2-(6-methyl-2-pyridinyl)propanoate (CID 605155) is methyl 3-(2,4-dichlorophenyl)-3-methoxy-2-(6-methyl-2-pyridinyl)propanoate.
What is the SMILES notation for methyl 3-(2,4-dichlorophenyl)-3-methoxy-2-(6-methyl-2-pyridinyl)propanoate?
The canonical SMILES for methyl 3-(2,4-dichlorophenyl)-3-methoxy-2-(6-methyl-2-pyridinyl)propanoate is COC(=O)C(c1cccc(C)n1)C(OC)c1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 3-(2,4-dichlorophenyl)-3-methoxy-2-(6-methyl-2-pyridinyl)propanoate?
The InChIKey is MUCAQXRWUDENAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-10-5-4-6-14(20-10)15(17(21)23-3)16(22-2)12-8-7-11(18)9-13(12)19/h4-9,15-16H,1-3H3.
What are the key properties of methyl 3-(2,4-dichlorophenyl)-3-methoxy-2-(6-methyl-2-pyridinyl)propanoate?
methyl 3-(2,4-dichlorophenyl)-3-methoxy-2-(6-methyl-2-pyridinyl)propanoate has a molecular weight of 354.23 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,4-dichlorophenyl)-3-methoxy-2-(6-methyl-2-pyridinyl)propanoate is sourced from PubChem (CID 605155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).