2-morpholin-4-ylethyl 5-bromo-1-methyl-2-oxopyridine-3-carboxylate

C13H17BrN2O4 — CID 68605488

IUPAC2-morpholin-4-ylethyl 5-bromo-1-methyl-2-oxopyridine-3-carboxylate
SMILESCn1cc(Br)cc(C(=O)OCCN2CCOCC2)c1=O
InChIInChI=1S/C13H17BrN2O4/c1-15-9-10(14)8-11(12(15)17)13(18)20-7-4-16-2-5-19-6-3-16/h8-9H,2-7H2,1H3
InChIKeyUYMAWUWXHDFTAJ-UHFFFAOYSA-N
MW345.19 g/mol
LogP0.64
Rot. Bonds4

About 2-morpholin-4-ylethyl 5-bromo-1-methyl-2-oxopyridine-3-carboxylate

2-morpholin-4-ylethyl 5-bromo-1-methyl-2-oxopyridine-3-carboxylate (PubChem CID 68605488) has the molecular formula C13H17BrN2O4 and a molecular weight of 345.19 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 5-bromo-1-methyl-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 5-bromo-1-methyl-2-oxopyridine-3-carboxylate
PubChem CID68605488
Molecular FormulaC13H17BrN2O4
Molecular Weight345.19 g/mol
Exact Mass344.04
IUPAC Name2-morpholin-4-ylethyl 5-bromo-1-methyl-2-oxopyridine-3-carboxylate
SMILESCn1cc(Br)cc(C(=O)OCCN2CCOCC2)c1=O
InChIInChI=1S/C13H17BrN2O4/c1-15-9-10(14)8-11(12(15)17)13(18)20-7-4-16-2-5-19-6-3-16/h8-9H,2-7H2,1H3
InChIKeyUYMAWUWXHDFTAJ-UHFFFAOYSA-N
XLogP0.64
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-morpholin-4-ylethyl 5-amino-2,4-dimethylbenzoate
CID 102706152
2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethyl 7-methoxy-2-oxochromene-3-carboxylate
CID 12073682
2-morpholin-4-ylethyl 3,5-dimethoxybenzoate
CID 50896866
2-morpholin-4-ylethyl 2-iodobenzoate
CID 989917
5-bromo-1-methyl-2-oxopyridine-3-carboxamide
CID 126648854
2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl carbamate
CID 175152234
2-morpholin-4-ylethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
CID 15048132
2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride
CID 2836400
2-morpholin-4-ylethyl 6-bromo-3-chloro-1-benzothiophene-2-carboxylate
CID 19798623
2-morpholin-4-ylethyl 2-bromo-2-methyl-3-oxobutanoate
CID 162508735
2-morpholin-4-ylethyl 4-(1-methyltetrazol-5-yl)benzoate
CID 58740461

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 5-bromo-1-methyl-2-oxopyridine-3-carboxylate?
The IUPAC name of 2-morpholin-4-ylethyl 5-bromo-1-methyl-2-oxopyridine-3-carboxylate (CID 68605488) is 2-morpholin-4-ylethyl 5-bromo-1-methyl-2-oxopyridine-3-carboxylate.
What is the SMILES notation for 2-morpholin-4-ylethyl 5-bromo-1-methyl-2-oxopyridine-3-carboxylate?
The canonical SMILES for 2-morpholin-4-ylethyl 5-bromo-1-methyl-2-oxopyridine-3-carboxylate is Cn1cc(Br)cc(C(=O)OCCN2CCOCC2)c1=O.
What is the InChIKey of 2-morpholin-4-ylethyl 5-bromo-1-methyl-2-oxopyridine-3-carboxylate?
The InChIKey is UYMAWUWXHDFTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O4/c1-15-9-10(14)8-11(12(15)17)13(18)20-7-4-16-2-5-19-6-3-16/h8-9H,2-7H2,1H3.
What are the key properties of 2-morpholin-4-ylethyl 5-bromo-1-methyl-2-oxopyridine-3-carboxylate?
2-morpholin-4-ylethyl 5-bromo-1-methyl-2-oxopyridine-3-carboxylate has a molecular weight of 345.19 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 5-bromo-1-methyl-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 68605488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).