2-bromo-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile

C10H6BrN3O — CID 170557742

IUPAC2-bromo-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile
SMILESCc1nnc(-c2ccc(Br)c(C#N)c2)o1
InChIInChI=1S/C10H6BrN3O/c1-6-13-14-10(15-6)7-2-3-9(11)8(4-7)5-12/h2-4H,1H3
InChIKeyYEUZBVJLZDVHRC-UHFFFAOYSA-N
MW264.08 g/mol
LogP2.68
Rot. Bonds1

About 2-bromo-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile

2-bromo-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile (PubChem CID 170557742) has the molecular formula C10H6BrN3O and a molecular weight of 264.08 g/mol. Its IUPAC name is 2-bromo-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile.

Molecular Properties

Compound Name2-bromo-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile
PubChem CID170557742
Molecular FormulaC10H6BrN3O
Molecular Weight264.08 g/mol
Exact Mass262.97
IUPAC Name2-bromo-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile
SMILESCc1nnc(-c2ccc(Br)c(C#N)c2)o1
InChIInChI=1S/C10H6BrN3O/c1-6-13-14-10(15-6)7-2-3-9(11)8(4-7)5-12/h2-4H,1H3
InChIKeyYEUZBVJLZDVHRC-UHFFFAOYSA-N
XLogP2.68
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.08
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile?
The IUPAC name of 2-bromo-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile (CID 170557742) is 2-bromo-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile.
What is the SMILES notation for 2-bromo-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile?
The canonical SMILES for 2-bromo-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile is Cc1nnc(-c2ccc(Br)c(C#N)c2)o1.
What is the InChIKey of 2-bromo-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile?
The InChIKey is YEUZBVJLZDVHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3O/c1-6-13-14-10(15-6)7-2-3-9(11)8(4-7)5-12/h2-4H,1H3.
What are the key properties of 2-bromo-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile?
2-bromo-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile has a molecular weight of 264.08 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile is sourced from PubChem (CID 170557742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).