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

C14H16Cl2N2O4 — CID 2345805

IUPAC[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
SMILESC[C@@H]1CN(C(=O)COC(=O)c2cnc(Cl)c(Cl)c2)C[C@@H](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/t8-,9-/m1/s1
InChIKeyRXLDIXRVLUDXAK-RKDXNWHRSA-N
MW347.20 g/mol
LogP2.18
Rot. Bonds3

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

[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate (PubChem CID 2345805) has the molecular formula C14H16Cl2N2O4 and a molecular weight of 347.20 g/mol. Its IUPAC name is [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
PubChem CID2345805
Molecular FormulaC14H16Cl2N2O4
Molecular Weight347.20 g/mol
Exact Mass346.05
IUPAC Name[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
SMILESC[C@@H]1CN(C(=O)COC(=O)c2cnc(Cl)c(Cl)c2)C[C@@H](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/t8-,9-/m1/s1
InChIKeyRXLDIXRVLUDXAK-RKDXNWHRSA-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'}

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

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Launch Full Analysis

Related Compounds

(2-oxo-2-piperidin-1-ylethyl) 5,6-dichloropyridine-3-carboxylate
CID 4112626
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 16523608
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3545684
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2518383
4-O-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239698
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5,6-dichloropyridine-3-carboxylate
CID 9231016
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7509056
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2346530
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 4241006
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 2434355
[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 5,6-dichloropyridine-3-carboxylate
CID 46814013
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-bromobenzoate
CID 23854351

Frequently Asked Questions

What is the IUPAC name of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate?
The IUPAC name of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate (CID 2345805) is [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate.
What is the SMILES notation for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate?
The canonical SMILES for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate is C[C@@H]1CN(C(=O)COC(=O)c2cnc(Cl)c(Cl)c2)C[C@@H](C)O1.
What is the InChIKey of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate?
The InChIKey is RXLDIXRVLUDXAK-RKDXNWHRSA-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/t8-,9-/m1/s1.
What are the key properties of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate?
[2-[(2R,6R)-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-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate is sourced from PubChem (CID 2345805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).