2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazolidin-4-ol

C9H8ClF3N2O2 — CID 66545136

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazolidin-4-ol
SMILESOC1CON(c2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C9H8ClF3N2O2/c10-7-1-5(9(11,12)13)2-14-8(7)15-3-6(16)4-17-15/h1-2,6,16H,3-4H2
InChIKeyZOUZSXLXKJUWIM-UHFFFAOYSA-N
MW268.62 g/mol
LogP1.87
Rot. Bonds1

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazolidin-4-ol

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazolidin-4-ol (PubChem CID 66545136) has the molecular formula C9H8ClF3N2O2 and a molecular weight of 268.62 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazolidin-4-ol.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazolidin-4-ol
PubChem CID66545136
Molecular FormulaC9H8ClF3N2O2
Molecular Weight268.62 g/mol
Exact Mass268.02
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazolidin-4-ol
SMILESOC1CON(c2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C9H8ClF3N2O2/c10-7-1-5(9(11,12)13)2-14-8(7)15-3-6(16)4-17-15/h1-2,6,16H,3-4H2
InChIKeyZOUZSXLXKJUWIM-UHFFFAOYSA-N
XLogP1.87
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazolidin-4-ol?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazolidin-4-ol (CID 66545136) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazolidin-4-ol.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazolidin-4-ol?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazolidin-4-ol is OC1CON(c2ncc(C(F)(F)F)cc2Cl)C1.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazolidin-4-ol?
The InChIKey is ZOUZSXLXKJUWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2O2/c10-7-1-5(9(11,12)13)2-14-8(7)15-3-6(16)4-17-15/h1-2,6,16H,3-4H2.
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazolidin-4-ol?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazolidin-4-ol has a molecular weight of 268.62 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazolidin-4-ol is sourced from PubChem (CID 66545136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).