[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol

C9H6BrFN2O2 — CID 102660255

IUPAC[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(-c2ccc(F)cc2Br)n1
InChIInChI=1S/C9H6BrFN2O2/c10-7-3-5(11)1-2-6(7)9-12-8(4-14)13-15-9/h1-3,14H,4H2
InChIKeyRUEUFKOSVRQDKI-UHFFFAOYSA-N
MW273.06 g/mol
LogP2.13
Rot. Bonds2

About [5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol

[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 102660255) has the molecular formula C9H6BrFN2O2 and a molecular weight of 273.06 g/mol. Its IUPAC name is [5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID102660255
Molecular FormulaC9H6BrFN2O2
Molecular Weight273.06 g/mol
Exact Mass271.96
IUPAC Name[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(-c2ccc(F)cc2Br)n1
InChIInChI=1S/C9H6BrFN2O2/c10-7-3-5(11)1-2-6(7)9-12-8(4-14)13-15-9/h1-3,14H,4H2
InChIKeyRUEUFKOSVRQDKI-UHFFFAOYSA-N
XLogP2.13
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.06
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol (CID 102660255) is [5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol is OCc1noc(-c2ccc(F)cc2Br)n1.
What is the InChIKey of [5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is RUEUFKOSVRQDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O2/c10-7-3-5(11)1-2-6(7)9-12-8(4-14)13-15-9/h1-3,14H,4H2.
What are the key properties of [5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 273.06 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 102660255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).