1-[(2S)-3-amino-2-hydroxypropyl]-5-bromo-3-methylpyridin-2-one

C9H13BrN2O2 — CID 130492576

IUPAC1-[(2S)-3-amino-2-hydroxypropyl]-5-bromo-3-methylpyridin-2-one
SMILESCc1cc(Br)cn(C[C@@H](O)CN)c1=O
InChIInChI=1S/C9H13BrN2O2/c1-6-2-7(10)4-12(9(6)14)5-8(13)3-11/h2,4,8,13H,3,5,11H2,1H3/t8-/m0/s1
InChIKeyBYGOBPXWRPKEOV-QMMMGPOBSA-N
MW261.12 g/mol
LogP0.24
Rot. Bonds3

About 1-[(2S)-3-amino-2-hydroxypropyl]-5-bromo-3-methylpyridin-2-one

1-[(2S)-3-amino-2-hydroxypropyl]-5-bromo-3-methylpyridin-2-one (PubChem CID 130492576) has the molecular formula C9H13BrN2O2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 1-[(2S)-3-amino-2-hydroxypropyl]-5-bromo-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(2S)-3-amino-2-hydroxypropyl]-5-bromo-3-methylpyridin-2-one
PubChem CID130492576
Molecular FormulaC9H13BrN2O2
Molecular Weight261.12 g/mol
Exact Mass260.02
IUPAC Name1-[(2S)-3-amino-2-hydroxypropyl]-5-bromo-3-methylpyridin-2-one
SMILESCc1cc(Br)cn(C[C@@H](O)CN)c1=O
InChIInChI=1S/C9H13BrN2O2/c1-6-2-7(10)4-12(9(6)14)5-8(13)3-11/h2,4,8,13H,3,5,11H2,1H3/t8-/m0/s1
InChIKeyBYGOBPXWRPKEOV-QMMMGPOBSA-N
XLogP0.24
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-3-amino-2-hydroxypropyl]-5-bromo-3-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-amino-2-hydroxypropyl]-5-bromo-3-methylpyridin-2-one?
The IUPAC name of 1-[(2S)-3-amino-2-hydroxypropyl]-5-bromo-3-methylpyridin-2-one (CID 130492576) is 1-[(2S)-3-amino-2-hydroxypropyl]-5-bromo-3-methylpyridin-2-one.
What is the SMILES notation for 1-[(2S)-3-amino-2-hydroxypropyl]-5-bromo-3-methylpyridin-2-one?
The canonical SMILES for 1-[(2S)-3-amino-2-hydroxypropyl]-5-bromo-3-methylpyridin-2-one is Cc1cc(Br)cn(C[C@@H](O)CN)c1=O.
What is the InChIKey of 1-[(2S)-3-amino-2-hydroxypropyl]-5-bromo-3-methylpyridin-2-one?
The InChIKey is BYGOBPXWRPKEOV-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13BrN2O2/c1-6-2-7(10)4-12(9(6)14)5-8(13)3-11/h2,4,8,13H,3,5,11H2,1H3/t8-/m0/s1.
What are the key properties of 1-[(2S)-3-amino-2-hydroxypropyl]-5-bromo-3-methylpyridin-2-one?
1-[(2S)-3-amino-2-hydroxypropyl]-5-bromo-3-methylpyridin-2-one has a molecular weight of 261.12 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-amino-2-hydroxypropyl]-5-bromo-3-methylpyridin-2-one is sourced from PubChem (CID 130492576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).