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

C13H6Br2FN3O2 — CID 136715489

IUPAC2-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol
SMILESOc1ccc(F)cc1-c1nc(-c2ncc(Br)cc2Br)no1
InChIInChI=1S/C13H6Br2FN3O2/c14-6-3-9(15)11(17-5-6)12-18-13(21-19-12)8-4-7(16)1-2-10(8)20/h1-5,20H
InChIKeyISBJWLDIGNVXHR-UHFFFAOYSA-N
MW415.02 g/mol
LogP4.17
Rot. Bonds2

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

2-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol (PubChem CID 136715489) has the molecular formula C13H6Br2FN3O2 and a molecular weight of 415.02 g/mol. Its IUPAC name is 2-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol.

Molecular Properties

Compound Name2-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol
PubChem CID136715489
Molecular FormulaC13H6Br2FN3O2
Molecular Weight415.02 g/mol
Exact Mass412.88
IUPAC Name2-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol
SMILESOc1ccc(F)cc1-c1nc(-c2ncc(Br)cc2Br)no1
InChIInChI=1S/C13H6Br2FN3O2/c14-6-3-9(15)11(17-5-6)12-18-13(21-19-12)8-4-7(16)1-2-10(8)20/h1-5,20H
InChIKeyISBJWLDIGNVXHR-UHFFFAOYSA-N
XLogP4.17
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.02
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 107795586
2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol
CID 137011333
4-fluoro-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011326
2-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886099
4-bromo-2-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136701140
4-bromo-2-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885782
6-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 106526743
2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-chlorophenol
CID 136850138
2-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136701088
4-bromo-2-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885778
2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886052
4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809735

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol?
The IUPAC name of 2-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol (CID 136715489) is 2-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol.
What is the SMILES notation for 2-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol?
The canonical SMILES for 2-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol is Oc1ccc(F)cc1-c1nc(-c2ncc(Br)cc2Br)no1.
What is the InChIKey of 2-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol?
The InChIKey is ISBJWLDIGNVXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2FN3O2/c14-6-3-9(15)11(17-5-6)12-18-13(21-19-12)8-4-7(16)1-2-10(8)20/h1-5,20H.
What are the key properties of 2-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol?
2-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol has a molecular weight of 415.02 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol is sourced from PubChem (CID 136715489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).