5-amino-3-bromo-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one

C11H15BrN2O2 — CID 80501981

IUPAC5-amino-3-bromo-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
SMILESNc1cc(Br)c(=O)n(CCC2CCCO2)c1
InChIInChI=1S/C11H15BrN2O2/c12-10-6-8(13)7-14(11(10)15)4-3-9-2-1-5-16-9/h6-7,9H,1-5,13H2
InChIKeyBUVIRQBAKWQAGY-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.76
Rot. Bonds3

About 5-amino-3-bromo-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one

5-amino-3-bromo-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one (PubChem CID 80501981) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-amino-3-bromo-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-bromo-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
PubChem CID80501981
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name5-amino-3-bromo-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
SMILESNc1cc(Br)c(=O)n(CCC2CCCO2)c1
InChIInChI=1S/C11H15BrN2O2/c12-10-6-8(13)7-14(11(10)15)4-3-9-2-1-5-16-9/h6-7,9H,1-5,13H2
InChIKeyBUVIRQBAKWQAGY-UHFFFAOYSA-N
XLogP1.76
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-bromo-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 80501846
5-amino-3-bromo-1-(3-cyclopropylpropyl)pyridin-2-one
CID 165479336
5-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 166647748
4-bromo-1-[2-(oxan-2-yl)ethyl]pyrrole-2-carboxylic acid
CID 106003546
5-acetyl-3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 80648817
5-amino-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 79356056
6-chloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one
CID 114582299
1-[2-(oxan-2-yl)ethyl]-6-oxopyridine-3-carboxylic acid
CID 106003570
3-(2-aminoethyl)-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 106934183
5-bromo-3-methyl-1-[2-(oxolan-2-ylmethylamino)ethyl]pyridin-2-one
CID 83134085
1-[2-(oxolan-2-yl)ethyl]-3-propan-2-ylimidazol-2-one
CID 116625132
1-[2-(oxolan-2-yl)ethyl]pyrazol-3-amine
CID 65161520

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-3-bromo-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one (CID 80501981) is 5-amino-3-bromo-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-3-bromo-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-3-bromo-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one is Nc1cc(Br)c(=O)n(CCC2CCCO2)c1.
What is the InChIKey of 5-amino-3-bromo-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one?
The InChIKey is BUVIRQBAKWQAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c12-10-6-8(13)7-14(11(10)15)4-3-9-2-1-5-16-9/h6-7,9H,1-5,13H2.
What are the key properties of 5-amino-3-bromo-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one?
5-amino-3-bromo-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one has a molecular weight of 287.16 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 80501981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).