(4S,5S)-5-(6-chloro-2-pyridinyl)-4-methyl-1,3-oxazolidin-2-one

C9H9ClN2O2 — CID 88580234

IUPAC(4S,5S)-5-(6-chloro-2-pyridinyl)-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1NC(=O)O[C@@H]1c1cccc(Cl)n1
InChIInChI=1S/C9H9ClN2O2/c1-5-8(14-9(13)11-5)6-3-2-4-7(10)12-6/h2-5,8H,1H3,(H,11,13)/t5-,8-/m0/s1
InChIKeyQDYPPMLVKKJTOM-XNCJUZBTSA-N
MW212.64 g/mol
LogP1.90
Rot. Bonds1

About (4S,5S)-5-(6-chloro-2-pyridinyl)-4-methyl-1,3-oxazolidin-2-one

(4S,5S)-5-(6-chloro-2-pyridinyl)-4-methyl-1,3-oxazolidin-2-one (PubChem CID 88580234) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is (4S,5S)-5-(6-chloro-2-pyridinyl)-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-(6-chloro-2-pyridinyl)-4-methyl-1,3-oxazolidin-2-one
PubChem CID88580234
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name(4S,5S)-5-(6-chloro-2-pyridinyl)-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1NC(=O)O[C@@H]1c1cccc(Cl)n1
InChIInChI=1S/C9H9ClN2O2/c1-5-8(14-9(13)11-5)6-3-2-4-7(10)12-6/h2-5,8H,1H3,(H,11,13)/t5-,8-/m0/s1
InChIKeyQDYPPMLVKKJTOM-XNCJUZBTSA-N
XLogP1.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.90
H-Bond Donors ≤ 51
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 (4S,5S)-5-(6-chloro-2-pyridinyl)-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-5-(6-chloro-2-pyridinyl)-4-methyl-1,3-oxazolidin-2-one (CID 88580234) is (4S,5S)-5-(6-chloro-2-pyridinyl)-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-5-(6-chloro-2-pyridinyl)-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-5-(6-chloro-2-pyridinyl)-4-methyl-1,3-oxazolidin-2-one is C[C@@H]1NC(=O)O[C@@H]1c1cccc(Cl)n1.
What is the InChIKey of (4S,5S)-5-(6-chloro-2-pyridinyl)-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is QDYPPMLVKKJTOM-XNCJUZBTSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-5-8(14-9(13)11-5)6-3-2-4-7(10)12-6/h2-5,8H,1H3,(H,11,13)/t5-,8-/m0/s1.
What are the key properties of (4S,5S)-5-(6-chloro-2-pyridinyl)-4-methyl-1,3-oxazolidin-2-one?
(4S,5S)-5-(6-chloro-2-pyridinyl)-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 212.64 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-(6-chloro-2-pyridinyl)-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 88580234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).