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

C13H7BrClN3O2 — CID 106503442

IUPAC3-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol
SMILESOc1ccc(Cl)c(-c2nc(-c3ncccc3Br)no2)c1
InChIInChI=1S/C13H7BrClN3O2/c14-9-2-1-5-16-11(9)12-17-13(20-18-12)8-6-7(19)3-4-10(8)15/h1-6,19H
InChIKeyJYFKJNPMSGAWQP-UHFFFAOYSA-N
MW352.58 g/mol
LogP3.92
Rot. Bonds2

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

3-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol (PubChem CID 106503442) has the molecular formula C13H7BrClN3O2 and a molecular weight of 352.58 g/mol. Its IUPAC name is 3-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol.

Molecular Properties

Compound Name3-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol
PubChem CID106503442
Molecular FormulaC13H7BrClN3O2
Molecular Weight352.58 g/mol
Exact Mass350.94
IUPAC Name3-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol
SMILESOc1ccc(Cl)c(-c2nc(-c3ncccc3Br)no2)c1
InChIInChI=1S/C13H7BrClN3O2/c14-9-2-1-5-16-11(9)12-17-13(20-18-12)8-6-7(19)3-4-10(8)15/h1-6,19H
InChIKeyJYFKJNPMSGAWQP-UHFFFAOYSA-N
XLogP3.92
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.58
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886099
4-chloro-3-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503410
4-chloro-3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 103442570
4-chloro-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503297
4-chloro-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503339
4-chloro-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503322
5-chloro-2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136847807
2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904204
(R)-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-(2-chlorophenyl)methanamine
CID 107315622
3-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-phenylmethoxyphenol
CID 15957098
4-chloro-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 106503397
4-[5-(3-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136690616

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol?
The IUPAC name of 3-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol (CID 106503442) is 3-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol.
What is the SMILES notation for 3-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol?
The canonical SMILES for 3-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol is Oc1ccc(Cl)c(-c2nc(-c3ncccc3Br)no2)c1.
What is the InChIKey of 3-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol?
The InChIKey is JYFKJNPMSGAWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClN3O2/c14-9-2-1-5-16-11(9)12-17-13(20-18-12)8-6-7(19)3-4-10(8)15/h1-6,19H.
What are the key properties of 3-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol?
3-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol has a molecular weight of 352.58 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol is sourced from PubChem (CID 106503442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).