5-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-chloro-1H-pyridin-2-one

C8H11ClN2O2 — CID 131118658

IUPAC5-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-chloro-1H-pyridin-2-one
SMILESC[C@@](N)(CO)c1ccc(=O)[nH]c1Cl
InChIInChI=1S/C8H11ClN2O2/c1-8(10,4-12)5-2-3-6(13)11-7(5)9/h2-3,12H,4,10H2,1H3,(H,11,13)/t8-/m1/s1
InChIKeyFYHJNKLBGMQPHS-MRVPVSSYSA-N
MW202.64 g/mol
LogP0.19
Rot. Bonds2

About 5-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-chloro-1H-pyridin-2-one

5-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-chloro-1H-pyridin-2-one (PubChem CID 131118658) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 5-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-chloro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-chloro-1H-pyridin-2-one
PubChem CID131118658
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name5-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-chloro-1H-pyridin-2-one
SMILESC[C@@](N)(CO)c1ccc(=O)[nH]c1Cl
InChIInChI=1S/C8H11ClN2O2/c1-8(10,4-12)5-2-3-6(13)11-7(5)9/h2-3,12H,4,10H2,1H3,(H,11,13)/t8-/m1/s1
InChIKeyFYHJNKLBGMQPHS-MRVPVSSYSA-N
XLogP0.19
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-chloro-1H-pyridin-2-one?
The IUPAC name of 5-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-chloro-1H-pyridin-2-one (CID 131118658) is 5-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-chloro-1H-pyridin-2-one.
What is the SMILES notation for 5-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-chloro-1H-pyridin-2-one?
The canonical SMILES for 5-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-chloro-1H-pyridin-2-one is C[C@@](N)(CO)c1ccc(=O)[nH]c1Cl.
What is the InChIKey of 5-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-chloro-1H-pyridin-2-one?
The InChIKey is FYHJNKLBGMQPHS-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-8(10,4-12)5-2-3-6(13)11-7(5)9/h2-3,12H,4,10H2,1H3,(H,11,13)/t8-/m1/s1.
What are the key properties of 5-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-chloro-1H-pyridin-2-one?
5-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-chloro-1H-pyridin-2-one has a molecular weight of 202.64 g/mol, XLogP of 0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-chloro-1H-pyridin-2-one is sourced from PubChem (CID 131118658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).