5-(5-bromo-3-pyridinyl)-3-pyridin-3-yl-1,2,4-oxadiazole

C12H7BrN4O — CID 59758751

IUPAC5-(5-bromo-3-pyridinyl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESBrc1cncc(-c2nc(-c3cccnc3)no2)c1
InChIInChI=1S/C12H7BrN4O/c13-10-4-9(6-15-7-10)12-16-11(17-18-12)8-2-1-3-14-5-8/h1-7H
InChIKeyPILRRJHQPBBORG-UHFFFAOYSA-N
MW303.12 g/mol
LogP2.96
Rot. Bonds2

About 5-(5-bromo-3-pyridinyl)-3-pyridin-3-yl-1,2,4-oxadiazole

5-(5-bromo-3-pyridinyl)-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 59758751) has the molecular formula C12H7BrN4O and a molecular weight of 303.12 g/mol. Its IUPAC name is 5-(5-bromo-3-pyridinyl)-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-bromo-3-pyridinyl)-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID59758751
Molecular FormulaC12H7BrN4O
Molecular Weight303.12 g/mol
Exact Mass301.98
IUPAC Name5-(5-bromo-3-pyridinyl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESBrc1cncc(-c2nc(-c3cccnc3)no2)c1
InChIInChI=1S/C12H7BrN4O/c13-10-4-9(6-15-7-10)12-16-11(17-18-12)8-2-1-3-14-5-8/h1-7H
InChIKeyPILRRJHQPBBORG-UHFFFAOYSA-N
XLogP2.96
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.12
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527948
5-(2,4-dichlorophenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 699599
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrazin-2-amine
CID 63260210
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine
CID 104742909
[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
CID 114324869
2-amino-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 54924255
5-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136700949
4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104676829
3-(2-chlorophenyl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 2031229
6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-benzoxazole
CID 44545184
3-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 67026212
3-pyridin-3-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 912383

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-3-pyridinyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(5-bromo-3-pyridinyl)-3-pyridin-3-yl-1,2,4-oxadiazole (CID 59758751) is 5-(5-bromo-3-pyridinyl)-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-bromo-3-pyridinyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-bromo-3-pyridinyl)-3-pyridin-3-yl-1,2,4-oxadiazole is Brc1cncc(-c2nc(-c3cccnc3)no2)c1.
What is the InChIKey of 5-(5-bromo-3-pyridinyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is PILRRJHQPBBORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN4O/c13-10-4-9(6-15-7-10)12-16-11(17-18-12)8-2-1-3-14-5-8/h1-7H.
What are the key properties of 5-(5-bromo-3-pyridinyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
5-(5-bromo-3-pyridinyl)-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 303.12 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-3-pyridinyl)-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 59758751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).