methyl 2-[4-(5,6-dichloropyridine-3-carbonyl)morpholin-2-yl]acetate

C13H14Cl2N2O4 — CID 79812705

IUPACmethyl 2-[4-(5,6-dichloropyridine-3-carbonyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2cnc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C13H14Cl2N2O4/c1-20-11(18)5-9-7-17(2-3-21-9)13(19)8-4-10(14)12(15)16-6-8/h4,6,9H,2-3,5,7H2,1H3
InChIKeyKXZZAHVUGCTWCJ-UHFFFAOYSA-N
MW333.17 g/mol
LogP1.79
Rot. Bonds3

About methyl 2-[4-(5,6-dichloropyridine-3-carbonyl)morpholin-2-yl]acetate

methyl 2-[4-(5,6-dichloropyridine-3-carbonyl)morpholin-2-yl]acetate (PubChem CID 79812705) has the molecular formula C13H14Cl2N2O4 and a molecular weight of 333.17 g/mol. Its IUPAC name is methyl 2-[4-(5,6-dichloropyridine-3-carbonyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(5,6-dichloropyridine-3-carbonyl)morpholin-2-yl]acetate
PubChem CID79812705
Molecular FormulaC13H14Cl2N2O4
Molecular Weight333.17 g/mol
Exact Mass332.03
IUPAC Namemethyl 2-[4-(5,6-dichloropyridine-3-carbonyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2cnc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C13H14Cl2N2O4/c1-20-11(18)5-9-7-17(2-3-21-9)13(19)8-4-10(14)12(15)16-6-8/h4,6,9H,2-3,5,7H2,1H3
InChIKeyKXZZAHVUGCTWCJ-UHFFFAOYSA-N
XLogP1.79
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze methyl 2-[4-(5,6-dichloropyridine-3-carbonyl)morpholin-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-[4-(5-methylpyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79806162
methyl 2-[4-(3-bromo-4-chlorobenzoyl)morpholin-2-yl]acetate
CID 103842120
methyl 2-[4-(4-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534950
methyl 2-[4-(4-bromo-2-chlorobenzoyl)morpholin-2-yl]acetate
CID 79812884
methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79806240
methyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate
CID 115533261
methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate
CID 79812879
methyl 2-[4-(4-bromobenzoyl)morpholin-2-yl]acetate
CID 79806173
methyl 2-[4-(3-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534948
methyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate
CID 115535924
methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate
CID 79812703
(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207977

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(5,6-dichloropyridine-3-carbonyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(5,6-dichloropyridine-3-carbonyl)morpholin-2-yl]acetate (CID 79812705) is methyl 2-[4-(5,6-dichloropyridine-3-carbonyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(5,6-dichloropyridine-3-carbonyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(5,6-dichloropyridine-3-carbonyl)morpholin-2-yl]acetate is COC(=O)CC1CN(C(=O)c2cnc(Cl)c(Cl)c2)CCO1.
What is the InChIKey of methyl 2-[4-(5,6-dichloropyridine-3-carbonyl)morpholin-2-yl]acetate?
The InChIKey is KXZZAHVUGCTWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O4/c1-20-11(18)5-9-7-17(2-3-21-9)13(19)8-4-10(14)12(15)16-6-8/h4,6,9H,2-3,5,7H2,1H3.
What are the key properties of methyl 2-[4-(5,6-dichloropyridine-3-carbonyl)morpholin-2-yl]acetate?
methyl 2-[4-(5,6-dichloropyridine-3-carbonyl)morpholin-2-yl]acetate has a molecular weight of 333.17 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(5,6-dichloropyridine-3-carbonyl)morpholin-2-yl]acetate is sourced from PubChem (CID 79812705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).