(4R)-4-(2,3,5-trichloro-4-pyridinyl)-1,3-oxazolidin-2-one

C8H5Cl3N2O2 — CID 131448512

IUPAC(4R)-4-(2,3,5-trichloro-4-pyridinyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2c(Cl)cnc(Cl)c2Cl)CO1
InChIInChI=1S/C8H5Cl3N2O2/c9-3-1-12-7(11)6(10)5(3)4-2-15-8(14)13-4/h1,4H,2H2,(H,13,14)/t4-/m0/s1
InChIKeyDTKASRVWDJCZOT-BYPYZUCNSA-N
MW267.50 g/mol
LogP2.82
Rot. Bonds1

About (4R)-4-(2,3,5-trichloro-4-pyridinyl)-1,3-oxazolidin-2-one

(4R)-4-(2,3,5-trichloro-4-pyridinyl)-1,3-oxazolidin-2-one (PubChem CID 131448512) has the molecular formula C8H5Cl3N2O2 and a molecular weight of 267.50 g/mol. Its IUPAC name is (4R)-4-(2,3,5-trichloro-4-pyridinyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(2,3,5-trichloro-4-pyridinyl)-1,3-oxazolidin-2-one
PubChem CID131448512
Molecular FormulaC8H5Cl3N2O2
Molecular Weight267.50 g/mol
Exact Mass265.94
IUPAC Name(4R)-4-(2,3,5-trichloro-4-pyridinyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2c(Cl)cnc(Cl)c2Cl)CO1
InChIInChI=1S/C8H5Cl3N2O2/c9-3-1-12-7(11)6(10)5(3)4-2-15-8(14)13-4/h1,4H,2H2,(H,13,14)/t4-/m0/s1
InChIKeyDTKASRVWDJCZOT-BYPYZUCNSA-N
XLogP2.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.50
LogP ≤ 52.82
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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Related Compounds

(4R)-4-(3,5-dichloro-4-pyridinyl)-1,3-oxazolidin-2-one
CID 130613625
(4R)-4-(2,3,6-trichlorophenyl)-1,3-oxazolidin-2-one
CID 171184657
4-[(2S)-azetidin-2-yl]-2,3,5-trichloropyridine
CID 130975037
(4S)-4-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183694
(4R)-4-(6-chloro-3-pyridinyl)-1,3-oxazolidin-2-one
CID 131173186
(4R)-4-(2-chloro-6-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184596
(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one
CID 130067478
(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183833
4-(4-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one
CID 130146009
(4R)-4-(2,3,4,5,6-pentamethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184660
4-(3-chlorothiophen-2-yl)-1,3-oxazolidin-2-one
CID 130148770
(4S)-4-(2,5-dichlorophenyl)-1,3-oxazolidin-2-one
CID 131128673

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,3,5-trichloro-4-pyridinyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-(2,3,5-trichloro-4-pyridinyl)-1,3-oxazolidin-2-one (CID 131448512) is (4R)-4-(2,3,5-trichloro-4-pyridinyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-(2,3,5-trichloro-4-pyridinyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-(2,3,5-trichloro-4-pyridinyl)-1,3-oxazolidin-2-one is O=C1N[C@H](c2c(Cl)cnc(Cl)c2Cl)CO1.
What is the InChIKey of (4R)-4-(2,3,5-trichloro-4-pyridinyl)-1,3-oxazolidin-2-one?
The InChIKey is DTKASRVWDJCZOT-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H5Cl3N2O2/c9-3-1-12-7(11)6(10)5(3)4-2-15-8(14)13-4/h1,4H,2H2,(H,13,14)/t4-/m0/s1.
What are the key properties of (4R)-4-(2,3,5-trichloro-4-pyridinyl)-1,3-oxazolidin-2-one?
(4R)-4-(2,3,5-trichloro-4-pyridinyl)-1,3-oxazolidin-2-one has a molecular weight of 267.50 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,3,5-trichloro-4-pyridinyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 131448512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).