2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenol

C9H7FN2O2 — CID 136898430

IUPAC2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
SMILESCc1noc(-c2cccc(F)c2O)n1
InChIInChI=1S/C9H7FN2O2/c1-5-11-9(14-12-5)6-3-2-4-7(10)8(6)13/h2-4,13H,1H3
InChIKeyIHTOPBGIEVNYSL-UHFFFAOYSA-N
MW194.17 g/mol
LogP1.89
Rot. Bonds1

About 2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenol

2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenol (PubChem CID 136898430) has the molecular formula C9H7FN2O2 and a molecular weight of 194.17 g/mol. Its IUPAC name is 2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenol.

Molecular Properties

Compound Name2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
PubChem CID136898430
Molecular FormulaC9H7FN2O2
Molecular Weight194.17 g/mol
Exact Mass194.05
IUPAC Name2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
SMILESCc1noc(-c2cccc(F)c2O)n1
InChIInChI=1S/C9H7FN2O2/c1-5-11-9(14-12-5)6-3-2-4-7(10)8(6)13/h2-4,13H,1H3
InChIKeyIHTOPBGIEVNYSL-UHFFFAOYSA-N
XLogP1.89
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenol?
The IUPAC name of 2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenol (CID 136898430) is 2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenol.
What is the SMILES notation for 2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenol?
The canonical SMILES for 2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenol is Cc1noc(-c2cccc(F)c2O)n1.
What is the InChIKey of 2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenol?
The InChIKey is IHTOPBGIEVNYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c1-5-11-9(14-12-5)6-3-2-4-7(10)8(6)13/h2-4,13H,1H3.
What are the key properties of 2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenol?
2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenol has a molecular weight of 194.17 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenol is sourced from PubChem (CID 136898430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).