[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate

C14H16Cl2N2O4 — CID 4171154

IUPAC[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
SMILESCC1CN(C(=O)COC(=O)c2cnc(Cl)c(Cl)c2)CC(C)O1
InChIInChI=1S/C14H16Cl2N2O4/c1-8-5-18(6-9(2)22-8)12(19)7-21-14(20)10-3-11(15)13(16)17-4-10/h3-4,8-9H,5-7H2,1-2H3
InChIKeyRXLDIXRVLUDXAK-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.18
Rot. Bonds3

About [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate

[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate (PubChem CID 4171154) has the molecular formula C14H16Cl2N2O4 and a molecular weight of 347.20 g/mol. Its IUPAC name is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
PubChem CID4171154
Molecular FormulaC14H16Cl2N2O4
Molecular Weight347.20 g/mol
Exact Mass346.05
IUPAC Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
SMILESCC1CN(C(=O)COC(=O)c2cnc(Cl)c(Cl)c2)CC(C)O1
InChIInChI=1S/C14H16Cl2N2O4/c1-8-5-18(6-9(2)22-8)12(19)7-21-14(20)10-3-11(15)13(16)17-4-10/h3-4,8-9H,5-7H2,1-2H3
InChIKeyRXLDIXRVLUDXAK-UHFFFAOYSA-N
XLogP2.18
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate?
The IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate (CID 4171154) is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate.
What is the SMILES notation for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate?
The canonical SMILES for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate is CC1CN(C(=O)COC(=O)c2cnc(Cl)c(Cl)c2)CC(C)O1.
What is the InChIKey of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate?
The InChIKey is RXLDIXRVLUDXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O4/c1-8-5-18(6-9(2)22-8)12(19)7-21-14(20)10-3-11(15)13(16)17-4-10/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate?
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate has a molecular weight of 347.20 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate is sourced from PubChem (CID 4171154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).