ethyl 2-[(2,6-dichloropyridine-4-carbonyl)-ethylamino]acetate

C12H14Cl2N2O3 — CID 54978868

IUPACethyl 2-[(2,6-dichloropyridine-4-carbonyl)-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H14Cl2N2O3/c1-3-16(7-11(17)19-4-2)12(18)8-5-9(13)15-10(14)6-8/h5-6H,3-4,7H2,1-2H3
InChIKeyCXTQLHIYRXQBGK-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.41
Rot. Bonds5

About ethyl 2-[(2,6-dichloropyridine-4-carbonyl)-ethylamino]acetate

ethyl 2-[(2,6-dichloropyridine-4-carbonyl)-ethylamino]acetate (PubChem CID 54978868) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is ethyl 2-[(2,6-dichloropyridine-4-carbonyl)-ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2,6-dichloropyridine-4-carbonyl)-ethylamino]acetate
PubChem CID54978868
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC Nameethyl 2-[(2,6-dichloropyridine-4-carbonyl)-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H14Cl2N2O3/c1-3-16(7-11(17)19-4-2)12(18)8-5-9(13)15-10(14)6-8/h5-6H,3-4,7H2,1-2H3
InChIKeyCXTQLHIYRXQBGK-UHFFFAOYSA-N
XLogP2.41
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(5-bromopyridine-3-carbonyl)-ethylamino]acetate
CID 54949215
N-butyl-2,6-dichloro-N-ethylpyridine-4-carboxamide
CID 43090789
ethyl 2-[(4-chloropyridine-3-carbonyl)-ethylamino]acetate
CID 81227208
ethyl 2-[ethyl-(4-ethylbenzoyl)amino]acetate
CID 54900748
ethyl 2-[(5-bromothiophene-3-carbonyl)-ethylamino]acetate
CID 61013447
ethyl 2-[(5-bromo-2-chlorobenzoyl)-ethylamino]acetate
CID 61021378
ethyl 2-[(3-chloro-4-iodobenzoyl)-propylamino]acetate
CID 103736240
ethyl 2-[ethyl-(4-phenoxybenzoyl)amino]acetate
CID 78902194
ethyl 2-[carbonochloridoyl(ethyl)amino]acetate
CID 168874340
ethyl 2-[(3-bromo-5-chlorobenzoyl)-(2-methylpropyl)amino]acetate
CID 107952118
2-chloro-N-ethyl-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 62248055
methyl 2-[(3,5-dichloro-4-methoxybenzoyl)-ethylamino]acetate
CID 61383603

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,6-dichloropyridine-4-carbonyl)-ethylamino]acetate?
The IUPAC name of ethyl 2-[(2,6-dichloropyridine-4-carbonyl)-ethylamino]acetate (CID 54978868) is ethyl 2-[(2,6-dichloropyridine-4-carbonyl)-ethylamino]acetate.
What is the SMILES notation for ethyl 2-[(2,6-dichloropyridine-4-carbonyl)-ethylamino]acetate?
The canonical SMILES for ethyl 2-[(2,6-dichloropyridine-4-carbonyl)-ethylamino]acetate is CCOC(=O)CN(CC)C(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of ethyl 2-[(2,6-dichloropyridine-4-carbonyl)-ethylamino]acetate?
The InChIKey is CXTQLHIYRXQBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3/c1-3-16(7-11(17)19-4-2)12(18)8-5-9(13)15-10(14)6-8/h5-6H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2-[(2,6-dichloropyridine-4-carbonyl)-ethylamino]acetate?
ethyl 2-[(2,6-dichloropyridine-4-carbonyl)-ethylamino]acetate has a molecular weight of 305.16 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,6-dichloropyridine-4-carbonyl)-ethylamino]acetate is sourced from PubChem (CID 54978868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).