[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate

C11H11ClN2O5 — CID 2423776

IUPAC[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
SMILESCOC(=O)CNC(=O)COC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H11ClN2O5/c1-18-10(16)5-14-9(15)6-19-11(17)7-2-3-8(12)13-4-7/h2-4H,5-6H2,1H3,(H,14,15)
InChIKeyPCWGNVWKINKWLX-UHFFFAOYSA-N
MW286.67 g/mol
LogP0.18
Rot. Bonds5

About [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate

[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate (PubChem CID 2423776) has the molecular formula C11H11ClN2O5 and a molecular weight of 286.67 g/mol. Its IUPAC name is [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
PubChem CID2423776
Molecular FormulaC11H11ClN2O5
Molecular Weight286.67 g/mol
Exact Mass286.04
IUPAC Name[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
SMILESCOC(=O)CNC(=O)COC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H11ClN2O5/c1-18-10(16)5-14-9(15)6-19-11(17)7-2-3-8(12)13-4-7/h2-4H,5-6H2,1H3,(H,14,15)
InChIKeyPCWGNVWKINKWLX-UHFFFAOYSA-N
XLogP0.18
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.67
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Methyl 6-chloropyridine-3-carboxylate
CID 254249
Ethyl 6-chloronicotinate
CID 2799611
[2-(4-Methylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 847689
{[(4-Fluorophenyl)methyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate
CID 2099259
2-((2-Methoxyethyl)amino)-2-oxoethyl 2-(methylthio)nicotinate
CID 2110639
2-(4-Methylpiperidin-1-yl)-2-oxoethyl 6-chloropyridine-3-carboxylate
CID 2355374
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2362869
[Phenyl(propan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
CID 2371306
{[(Thiophen-2-yl)methyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate
CID 2417558
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2419067
[(4-Cyanophenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
CID 2428126
[2-(Tert-butylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2432404

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate?
The IUPAC name of [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate (CID 2423776) is [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate.
What is the SMILES notation for [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate?
The canonical SMILES for [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate is COC(=O)CNC(=O)COC(=O)c1ccc(Cl)nc1.
What is the InChIKey of [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate?
The InChIKey is PCWGNVWKINKWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O5/c1-18-10(16)5-14-9(15)6-19-11(17)7-2-3-8(12)13-4-7/h2-4H,5-6H2,1H3,(H,14,15).
What are the key properties of [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate?
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate has a molecular weight of 286.67 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate is sourced from PubChem (CID 2423776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).