5-bromo-1-[2-hydroxy-3-(methylamino)propyl]pyridin-2-one

C9H13BrN2O2 — CID 43187976

IUPAC5-bromo-1-[2-hydroxy-3-(methylamino)propyl]pyridin-2-one
SMILESCNCC(O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C9H13BrN2O2/c1-11-4-8(13)6-12-5-7(10)2-3-9(12)14/h2-3,5,8,11,13H,4,6H2,1H3
InChIKeyVOCAYSQQGYYGRK-UHFFFAOYSA-N
MW261.12 g/mol
LogP0.19
Rot. Bonds4

About 5-bromo-1-[2-hydroxy-3-(methylamino)propyl]pyridin-2-one

5-bromo-1-[2-hydroxy-3-(methylamino)propyl]pyridin-2-one (PubChem CID 43187976) has the molecular formula C9H13BrN2O2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 5-bromo-1-[2-hydroxy-3-(methylamino)propyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-hydroxy-3-(methylamino)propyl]pyridin-2-one
PubChem CID43187976
Molecular FormulaC9H13BrN2O2
Molecular Weight261.12 g/mol
Exact Mass260.02
IUPAC Name5-bromo-1-[2-hydroxy-3-(methylamino)propyl]pyridin-2-one
SMILESCNCC(O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C9H13BrN2O2/c1-11-4-8(13)6-12-5-7(10)2-3-9(12)14/h2-3,5,8,11,13H,4,6H2,1H3
InChIKeyVOCAYSQQGYYGRK-UHFFFAOYSA-N
XLogP0.19
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-amino-2-hydroxypropyl)pyridin-2(1H)-one hydrochloride
CID 71779124
2-(5-bromo-2-oxo-1-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103723268
2-(5-bromo-2-oxo-1-pyridinyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 103770135
[3-(But-2-enoylamino)-2-hydroxypropyl]-trimethylazanium
CID 57067152
5-Bromo-1-(2-hydroxypropyl)pyridin-2-one
CID 60884691
5-bromo-N-(2-hydroxypropyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 89781732
5-bromo-N-[(2R)-2-hydroxypropyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 89794692
5-bromo-N-[(2S)-2-hydroxypropyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 89794776
(E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]but-2-enamide
CID 90245570
(2E)-N-[2-hydroxy-3-[methyl(propyl)amino]propyl]penta-2,4-dienamide
CID 90245814
3-bromo-N-(2-hydroxypropyl)-1-methyl-2H-pyridine-5-carboxamide
CID 123166838
5-bromo-1-(3-hydroxypropyl)pyridin-2-one;5-bromo-1H-pyridin-2-one
CID 158878846

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-hydroxy-3-(methylamino)propyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-hydroxy-3-(methylamino)propyl]pyridin-2-one (CID 43187976) is 5-bromo-1-[2-hydroxy-3-(methylamino)propyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-hydroxy-3-(methylamino)propyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-hydroxy-3-(methylamino)propyl]pyridin-2-one is CNCC(O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 5-bromo-1-[2-hydroxy-3-(methylamino)propyl]pyridin-2-one?
The InChIKey is VOCAYSQQGYYGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2/c1-11-4-8(13)6-12-5-7(10)2-3-9(12)14/h2-3,5,8,11,13H,4,6H2,1H3.
What are the key properties of 5-bromo-1-[2-hydroxy-3-(methylamino)propyl]pyridin-2-one?
5-bromo-1-[2-hydroxy-3-(methylamino)propyl]pyridin-2-one has a molecular weight of 261.12 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-hydroxy-3-(methylamino)propyl]pyridin-2-one is sourced from PubChem (CID 43187976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).