(4R)-5-(3-fluorophenyl)-4-(6-iodo-3-pyridinyl)-1,3-oxazolidin-2-one

C14H10FIN2O2 — CID 89137103

IUPAC(4R)-5-(3-fluorophenyl)-4-(6-iodo-3-pyridinyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2ccc(I)nc2)C(c2cccc(F)c2)O1
InChIInChI=1S/C14H10FIN2O2/c15-10-3-1-2-8(6-10)13-12(18-14(19)20-13)9-4-5-11(16)17-7-9/h1-7,12-13H,(H,18,19)/t12-,13?/m1/s1
InChIKeyDAXLUMYLIBSQNJ-PZORYLMUSA-N
MW384.15 g/mol
LogP3.35
Rot. Bonds2

About (4R)-5-(3-fluorophenyl)-4-(6-iodo-3-pyridinyl)-1,3-oxazolidin-2-one

(4R)-5-(3-fluorophenyl)-4-(6-iodo-3-pyridinyl)-1,3-oxazolidin-2-one (PubChem CID 89137103) has the molecular formula C14H10FIN2O2 and a molecular weight of 384.15 g/mol. Its IUPAC name is (4R)-5-(3-fluorophenyl)-4-(6-iodo-3-pyridinyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-5-(3-fluorophenyl)-4-(6-iodo-3-pyridinyl)-1,3-oxazolidin-2-one
PubChem CID89137103
Molecular FormulaC14H10FIN2O2
Molecular Weight384.15 g/mol
Exact Mass383.98
IUPAC Name(4R)-5-(3-fluorophenyl)-4-(6-iodo-3-pyridinyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2ccc(I)nc2)C(c2cccc(F)c2)O1
InChIInChI=1S/C14H10FIN2O2/c15-10-3-1-2-8(6-10)13-12(18-14(19)20-13)9-4-5-11(16)17-7-9/h1-7,12-13H,(H,18,19)/t12-,13?/m1/s1
InChIKeyDAXLUMYLIBSQNJ-PZORYLMUSA-N
XLogP3.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.15
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-5-(3-Fluorophenyl)-4-(5-(phenylethynyl)pyridin-3-yl)oxazolidin-2-one
CID 69081596
(4R,5R)-5-(4-fluorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69085788
(4R,5R)-5-phenyl-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69092896
(4R,5R)-5-(3,4-difluorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69093997
(4R,5R)-5-(2,5-difluorophenyl)-4-(5-(phenylethynyl)pyridin-3-yl)oxazolidin-2-one
CID 57330204
(4R,5R)-5-(4-fluorophenyl)-4-[5-[2-(5-fluoro-3-pyridinyl)ethynyl]-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69084420
(4R,5R)-5-phenyl-4-[4-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one
CID 69086317
(4R,5R)-5-(2,3-difluorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69093210
(4R,5R)-5-Phenyl-4-(2-(phenylethynyl)pyridin-4-yl)oxazolidin-2-one
CID 69093438
(4R,5R)-5-(4-fluorophenyl)-4-[5-(2-pyridin-4-ylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69093459
(4R,5R)-5-(4-fluorophenyl)-4-[5-[2-(2-fluoro-4-pyridinyl)ethynyl]-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69093544
(4R,5R)-5-(4-fluorophenyl)-4-[5-(2-pyridin-3-ylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69093594

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(3-fluorophenyl)-4-(6-iodo-3-pyridinyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-5-(3-fluorophenyl)-4-(6-iodo-3-pyridinyl)-1,3-oxazolidin-2-one (CID 89137103) is (4R)-5-(3-fluorophenyl)-4-(6-iodo-3-pyridinyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-5-(3-fluorophenyl)-4-(6-iodo-3-pyridinyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-5-(3-fluorophenyl)-4-(6-iodo-3-pyridinyl)-1,3-oxazolidin-2-one is O=C1N[C@H](c2ccc(I)nc2)C(c2cccc(F)c2)O1.
What is the InChIKey of (4R)-5-(3-fluorophenyl)-4-(6-iodo-3-pyridinyl)-1,3-oxazolidin-2-one?
The InChIKey is DAXLUMYLIBSQNJ-PZORYLMUSA-N. The full InChI is InChI=1S/C14H10FIN2O2/c15-10-3-1-2-8(6-10)13-12(18-14(19)20-13)9-4-5-11(16)17-7-9/h1-7,12-13H,(H,18,19)/t12-,13?/m1/s1.
What are the key properties of (4R)-5-(3-fluorophenyl)-4-(6-iodo-3-pyridinyl)-1,3-oxazolidin-2-one?
(4R)-5-(3-fluorophenyl)-4-(6-iodo-3-pyridinyl)-1,3-oxazolidin-2-one has a molecular weight of 384.15 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(3-fluorophenyl)-4-(6-iodo-3-pyridinyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 89137103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).