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

C13H7Cl2N3O2 — CID 136847807

IUPAC5-chloro-2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1cc(Cl)ccc1-c1nc(-c2ncccc2Cl)no1
InChIInChI=1S/C13H7Cl2N3O2/c14-7-3-4-8(10(19)6-7)13-17-12(18-20-13)11-9(15)2-1-5-16-11/h1-6,19H
InChIKeyYJEBNAGXZDOELE-UHFFFAOYSA-N
MW308.12 g/mol
LogP3.81
Rot. Bonds2

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

5-chloro-2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136847807) has the molecular formula C13H7Cl2N3O2 and a molecular weight of 308.12 g/mol. Its IUPAC name is 5-chloro-2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name5-chloro-2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136847807
Molecular FormulaC13H7Cl2N3O2
Molecular Weight308.12 g/mol
Exact Mass306.99
IUPAC Name5-chloro-2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1cc(Cl)ccc1-c1nc(-c2ncccc2Cl)no1
InChIInChI=1S/C13H7Cl2N3O2/c14-7-3-4-8(10(19)6-7)13-17-12(18-20-13)11-9(15)2-1-5-16-11/h1-6,19H
InChIKeyYJEBNAGXZDOELE-UHFFFAOYSA-N
XLogP3.81
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 103442570
5-fluoro-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136905979
3-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol
CID 106503442
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 103442788
4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 103442626
5-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 103442682
2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-chlorophenol
CID 136850138
[3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 103442621
3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 103445438
3-(3-chlorophenyl)-5-(2-phenyl-3-pyridinyl)-1,2,4-oxadiazole
CID 25264646
4-chloro-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137012886
[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 103445508

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 5-chloro-2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136847807) is 5-chloro-2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 5-chloro-2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 5-chloro-2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol is Oc1cc(Cl)ccc1-c1nc(-c2ncccc2Cl)no1.
What is the InChIKey of 5-chloro-2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is YJEBNAGXZDOELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2N3O2/c14-7-3-4-8(10(19)6-7)13-17-12(18-20-13)11-9(15)2-1-5-16-11/h1-6,19H.
What are the key properties of 5-chloro-2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
5-chloro-2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 308.12 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136847807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).