6-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile

C13H5Br2N5O — CID 106526743

IUPAC6-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2nc(-c3ncc(Br)cc3Br)no2)nc1
InChIInChI=1S/C13H5Br2N5O/c14-8-3-9(15)11(18-6-8)12-19-13(21-20-12)10-2-1-7(4-16)5-17-10/h1-3,5-6H
InChIKeyJDBFJBSCUSMDLB-UHFFFAOYSA-N
MW407.03 g/mol
LogP3.59
Rot. Bonds2

About 6-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile

6-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile (PubChem CID 106526743) has the molecular formula C13H5Br2N5O and a molecular weight of 407.03 g/mol. Its IUPAC name is 6-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
PubChem CID106526743
Molecular FormulaC13H5Br2N5O
Molecular Weight407.03 g/mol
Exact Mass404.89
IUPAC Name6-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2nc(-c3ncc(Br)cc3Br)no2)nc1
InChIInChI=1S/C13H5Br2N5O/c14-8-3-9(15)11(18-6-8)12-19-13(21-20-12)10-2-1-7(4-16)5-17-10/h1-3,5-6H
InChIKeyJDBFJBSCUSMDLB-UHFFFAOYSA-N
XLogP3.59
TPSA88.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.03
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-(3-iodo-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 112572198
6-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 71921724
6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 71876923
4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104676829
4-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 107795586
6-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 113233892
6-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 106525265
2-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol
CID 136715489
6-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 63748662
4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104704173
6-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 106527255
6-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 63748661

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile (CID 106526743) is 6-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile is N#Cc1ccc(-c2nc(-c3ncc(Br)cc3Br)no2)nc1.
What is the InChIKey of 6-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile?
The InChIKey is JDBFJBSCUSMDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Br2N5O/c14-8-3-9(15)11(18-6-8)12-19-13(21-20-12)10-2-1-7(4-16)5-17-10/h1-3,5-6H.
What are the key properties of 6-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile?
6-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile has a molecular weight of 407.03 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 106526743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).