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

C13H8BrN3O2 — CID 55152491

IUPAC3-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1cccc(-c2noc(-c3ccc(Br)cn3)n2)c1
InChIInChI=1S/C13H8BrN3O2/c14-9-4-5-11(15-7-9)13-16-12(17-19-13)8-2-1-3-10(18)6-8/h1-7,18H
InChIKeyABCNDAGAXUBMJL-UHFFFAOYSA-N
MW318.13 g/mol
LogP3.27
Rot. Bonds2

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

3-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 55152491) has the molecular formula C13H8BrN3O2 and a molecular weight of 318.13 g/mol. Its IUPAC name is 3-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID55152491
Molecular FormulaC13H8BrN3O2
Molecular Weight318.13 g/mol
Exact Mass316.98
IUPAC Name3-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1cccc(-c2noc(-c3ccc(Br)cn3)n2)c1
InChIInChI=1S/C13H8BrN3O2/c14-9-4-5-11(15-7-9)13-16-12(17-19-13)8-2-1-3-10(18)6-8/h1-7,18H
InChIKeyABCNDAGAXUBMJL-UHFFFAOYSA-N
XLogP3.27
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 63022523
3-[5-(2-amino-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921126
3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 43120309
3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82802431
4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136871087
2-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809760
2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888758
3-[5-(3-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 106704216
3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 43120312
2-fluoro-4-[5-(3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136871097
4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 136889520
5-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811738

Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol (CID 55152491) is 3-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol is Oc1cccc(-c2noc(-c3ccc(Br)cn3)n2)c1.
What is the InChIKey of 3-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is ABCNDAGAXUBMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O2/c14-9-4-5-11(15-7-9)13-16-12(17-19-13)8-2-1-3-10(18)6-8/h1-7,18H.
What are the key properties of 3-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol?
3-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 318.13 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 55152491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).