(4R)-4-(6-chloro-3-pyridinyl)-1,3-oxazolidin-2-one

C8H7ClN2O2 — CID 131173186

IUPAC(4R)-4-(6-chloro-3-pyridinyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2ccc(Cl)nc2)CO1
InChIInChI=1S/C8H7ClN2O2/c9-7-2-1-5(3-10-7)6-4-13-8(12)11-6/h1-3,6H,4H2,(H,11,12)/t6-/m0/s1
InChIKeySWCWPZZNDQTGOJ-LURJTMIESA-N
MW198.61 g/mol
LogP1.52
Rot. Bonds1

About (4R)-4-(6-chloro-3-pyridinyl)-1,3-oxazolidin-2-one

(4R)-4-(6-chloro-3-pyridinyl)-1,3-oxazolidin-2-one (PubChem CID 131173186) has the molecular formula C8H7ClN2O2 and a molecular weight of 198.61 g/mol. Its IUPAC name is (4R)-4-(6-chloro-3-pyridinyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(6-chloro-3-pyridinyl)-1,3-oxazolidin-2-one
PubChem CID131173186
Molecular FormulaC8H7ClN2O2
Molecular Weight198.61 g/mol
Exact Mass198.02
IUPAC Name(4R)-4-(6-chloro-3-pyridinyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2ccc(Cl)nc2)CO1
InChIInChI=1S/C8H7ClN2O2/c9-7-2-1-5(3-10-7)6-4-13-8(12)11-6/h1-3,6H,4H2,(H,11,12)/t6-/m0/s1
InChIKeySWCWPZZNDQTGOJ-LURJTMIESA-N
XLogP1.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 51.52
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 (4R)-4-(6-chloro-3-pyridinyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-(6-chloro-3-pyridinyl)-1,3-oxazolidin-2-one (CID 131173186) is (4R)-4-(6-chloro-3-pyridinyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-(6-chloro-3-pyridinyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-(6-chloro-3-pyridinyl)-1,3-oxazolidin-2-one is O=C1N[C@H](c2ccc(Cl)nc2)CO1.
What is the InChIKey of (4R)-4-(6-chloro-3-pyridinyl)-1,3-oxazolidin-2-one?
The InChIKey is SWCWPZZNDQTGOJ-LURJTMIESA-N. The full InChI is InChI=1S/C8H7ClN2O2/c9-7-2-1-5(3-10-7)6-4-13-8(12)11-6/h1-3,6H,4H2,(H,11,12)/t6-/m0/s1.
What are the key properties of (4R)-4-(6-chloro-3-pyridinyl)-1,3-oxazolidin-2-one?
(4R)-4-(6-chloro-3-pyridinyl)-1,3-oxazolidin-2-one has a molecular weight of 198.61 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(6-chloro-3-pyridinyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 131173186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).