4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol

C13H7BrFN3O2 — CID 136871087

IUPAC4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
SMILESOc1ccc(-c2nc(-c3ccc(Br)cn3)no2)c(F)c1
InChIInChI=1S/C13H7BrFN3O2/c14-7-1-4-11(16-6-7)12-17-13(20-18-12)9-3-2-8(19)5-10(9)15/h1-6,19H
InChIKeyHTUNNMGSHBEKEI-UHFFFAOYSA-N
MW336.12 g/mol
LogP3.41
Rot. Bonds2

About 4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol

4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol (PubChem CID 136871087) has the molecular formula C13H7BrFN3O2 and a molecular weight of 336.12 g/mol. Its IUPAC name is 4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol.

Molecular Properties

Compound Name4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
PubChem CID136871087
Molecular FormulaC13H7BrFN3O2
Molecular Weight336.12 g/mol
Exact Mass334.97
IUPAC Name4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
SMILESOc1ccc(-c2nc(-c3ccc(Br)cn3)no2)c(F)c1
InChIInChI=1S/C13H7BrFN3O2/c14-7-1-4-11(16-6-7)12-17-13(20-18-12)9-3-2-8(19)5-10(9)15/h1-6,19H
InChIKeyHTUNNMGSHBEKEI-UHFFFAOYSA-N
XLogP3.41
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.12
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol
CID 136715466
4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136827589
3-fluoro-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 136827586
3-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 55152491
4-chloro-3-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503410
3-fluoro-4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137015366
3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenol
CID 167906493
5-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811738
4-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 107795586
3-fluoro-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827573
3-fluoro-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827642
3-(5-bromo-2-pyridinyl)-5-methyl-1,2,4-oxadiazole
CID 23438610

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol?
The IUPAC name of 4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol (CID 136871087) is 4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol.
What is the SMILES notation for 4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol?
The canonical SMILES for 4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol is Oc1ccc(-c2nc(-c3ccc(Br)cn3)no2)c(F)c1.
What is the InChIKey of 4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol?
The InChIKey is HTUNNMGSHBEKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFN3O2/c14-7-1-4-11(16-6-7)12-17-13(20-18-12)9-3-2-8(19)5-10(9)15/h1-6,19H.
What are the key properties of 4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol?
4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol has a molecular weight of 336.12 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol is sourced from PubChem (CID 136871087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).