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

C14H17BrN2O4 — CID 16523046

IUPAC[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate
SMILESCC1CN(C(=O)COC(=O)c2cncc(Br)c2)CC(C)O1
InChIInChI=1S/C14H17BrN2O4/c1-9-6-17(7-10(2)21-9)13(18)8-20-14(19)11-3-12(15)5-16-4-11/h3-5,9-10H,6-8H2,1-2H3
InChIKeyPNWWMHFGJPYUQQ-UHFFFAOYSA-N
MW357.20 g/mol
LogP1.64
Rot. Bonds3

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

[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate (PubChem CID 16523046) has the molecular formula C14H17BrN2O4 and a molecular weight of 357.20 g/mol. Its IUPAC name is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate
PubChem CID16523046
Molecular FormulaC14H17BrN2O4
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate
SMILESCC1CN(C(=O)COC(=O)c2cncc(Br)c2)CC(C)O1
InChIInChI=1S/C14H17BrN2O4/c1-9-6-17(7-10(2)21-9)13(18)8-20-14(19)11-3-12(15)5-16-4-11/h3-5,9-10H,6-8H2,1-2H3
InChIKeyPNWWMHFGJPYUQQ-UHFFFAOYSA-N
XLogP1.64
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 5-bromopyridine-3-carboxylate
CID 699336
Ethyl 5-bromopyridine-3-carboxylate
CID 140785
2-(4-Methylpiperidin-1-yl)-2-oxoethyl 5-bromopyridine-3-carboxylate
CID 2097394
[2-(Cyclohexylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2351060
2-(4-Methylpiperidin-1-yl)-2-oxoethyl 6-chloropyridine-3-carboxylate
CID 2355374
[Cyclohexyl(methyl)carbamoyl]methyl 5-bromopyridine-3-carboxylate
CID 2386742
[2-(Tert-butylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2411979
(2-Oxo-2-pyrrolidin-1-ylethyl) 5-bromopyridine-3-carboxylate
CID 2416732
2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl 5-bromopyridine-3-carboxylate
CID 2453478
Ethyl 1-(5-bromopyridine-3-carbonyl)piperidine-3-carboxylate
CID 2998450
(2-Oxooxolan-3-yl) 5-bromopyridine-3-carboxylate
CID 2998811
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 3302352

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate?
The IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate (CID 16523046) is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate.
What is the SMILES notation for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate?
The canonical SMILES for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate is CC1CN(C(=O)COC(=O)c2cncc(Br)c2)CC(C)O1.
What is the InChIKey of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate?
The InChIKey is PNWWMHFGJPYUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O4/c1-9-6-17(7-10(2)21-9)13(18)8-20-14(19)11-3-12(15)5-16-4-11/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate?
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate has a molecular weight of 357.20 g/mol, XLogP of 1.64, 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-bromopyridine-3-carboxylate is sourced from PubChem (CID 16523046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).