methyl 2-[(3,6-dichloro-2-pyridinyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate

C12H14Cl2N2O4 — CID 62955033

IUPACmethyl 2-[(3,6-dichloro-2-pyridinyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)Cc1nc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O4/c1-19-11(17)6-16(7-12(18)20-2)5-9-8(13)3-4-10(14)15-9/h3-4H,5-7H2,1-2H3
InChIKeyPDESBEGHIBZTEX-UHFFFAOYSA-N
MW321.16 g/mol
LogP1.54
Rot. Bonds6

About methyl 2-[(3,6-dichloro-2-pyridinyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[(3,6-dichloro-2-pyridinyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 62955033) has the molecular formula C12H14Cl2N2O4 and a molecular weight of 321.16 g/mol. Its IUPAC name is methyl 2-[(3,6-dichloro-2-pyridinyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3,6-dichloro-2-pyridinyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID62955033
Molecular FormulaC12H14Cl2N2O4
Molecular Weight321.16 g/mol
Exact Mass320.03
IUPAC Namemethyl 2-[(3,6-dichloro-2-pyridinyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)Cc1nc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O4/c1-19-11(17)6-16(7-12(18)20-2)5-9-8(13)3-4-10(14)15-9/h3-4H,5-7H2,1-2H3
InChIKeyPDESBEGHIBZTEX-UHFFFAOYSA-N
XLogP1.54
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(3,6-dichloro-2-pyridinyl)methyl-ethylamino]acetate
CID 62890414
methyl 3-[(3,6-dichloro-2-pyridinyl)methyl-(2-methoxyethyl)amino]propanoate
CID 115536361
2-[(3,6-dichloro-2-pyridinyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 62892164
N-cyclopropyl-2-[(3,6-dichloro-2-pyridinyl)methyl-methylamino]acetamide
CID 55127585
1-(3,6-dichloro-2-pyridinyl)-N-methoxymethanamine
CID 131041653
methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propylamino]acetate
CID 80656944
methyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate
CID 60670410
methyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 106869252
methyl 4-[(3,6-dichloro-2-pyridinyl)methoxy]benzoate
CID 59756933
methyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 103885183
methyl 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097688
methyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 79047597

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,6-dichloro-2-pyridinyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(3,6-dichloro-2-pyridinyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate (CID 62955033) is methyl 2-[(3,6-dichloro-2-pyridinyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(3,6-dichloro-2-pyridinyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(3,6-dichloro-2-pyridinyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)Cc1nc(Cl)ccc1Cl.
What is the InChIKey of methyl 2-[(3,6-dichloro-2-pyridinyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is PDESBEGHIBZTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O4/c1-19-11(17)6-16(7-12(18)20-2)5-9-8(13)3-4-10(14)15-9/h3-4H,5-7H2,1-2H3.
What are the key properties of methyl 2-[(3,6-dichloro-2-pyridinyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(3,6-dichloro-2-pyridinyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 321.16 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,6-dichloro-2-pyridinyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 62955033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).