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

C13H7Cl2N3O2 — CID 106503410

IUPAC4-chloro-3-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(Cl)c(-c2nc(-c3ccc(Cl)cn3)no2)c1
InChIInChI=1S/C13H7Cl2N3O2/c14-7-1-4-11(16-6-7)12-17-13(20-18-12)9-5-8(19)2-3-10(9)15/h1-6,19H
InChIKeySLVWCFPNLQNGJU-UHFFFAOYSA-N
MW308.12 g/mol
LogP3.81
Rot. Bonds2

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

4-chloro-3-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 106503410) has the molecular formula C13H7Cl2N3O2 and a molecular weight of 308.12 g/mol. Its IUPAC name is 4-chloro-3-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-chloro-3-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID106503410
Molecular FormulaC13H7Cl2N3O2
Molecular Weight308.12 g/mol
Exact Mass306.99
IUPAC Name4-chloro-3-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(Cl)c(-c2nc(-c3ccc(Cl)cn3)no2)c1
InChIInChI=1S/C13H7Cl2N3O2/c14-7-1-4-11(16-6-7)12-17-13(20-18-12)9-5-8(19)2-3-10(9)15/h1-6,19H
InChIKeySLVWCFPNLQNGJU-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-(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
2-chloro-6-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107051015
3-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol
CID 106503442
4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136871087
4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile
CID 106526186
2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904204
4-chloro-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 106503397
2-[4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496326
4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106526177
4-chloro-3-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503458

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-chloro-3-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol (CID 106503410) is 4-chloro-3-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-chloro-3-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-chloro-3-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol is Oc1ccc(Cl)c(-c2nc(-c3ccc(Cl)cn3)no2)c1.
What is the InChIKey of 4-chloro-3-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is SLVWCFPNLQNGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2N3O2/c14-7-1-4-11(16-6-7)12-17-13(20-18-12)9-5-8(19)2-3-10(9)15/h1-6,19H.
What are the key properties of 4-chloro-3-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
4-chloro-3-[3-(5-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 4-chloro-3-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 106503410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).