2-(3-bromo-2-oxo-5-pyridin-2-yl-1-pyridinyl)benzonitrile

C17H10BrN3O — CID 71534427

IUPAC2-(3-bromo-2-oxo-5-pyridin-2-yl-1-pyridinyl)benzonitrile
SMILESN#Cc1ccccc1-n1cc(-c2ccccn2)cc(Br)c1=O
InChIInChI=1S/C17H10BrN3O/c18-14-9-13(15-6-3-4-8-20-15)11-21(17(14)22)16-7-2-1-5-12(16)10-19/h1-9,11H
InChIKeyYOAMZRXUTZXZBO-UHFFFAOYSA-N
MW352.19 g/mol
LogP3.53
Rot. Bonds2

About 2-(3-bromo-2-oxo-5-pyridin-2-yl-1-pyridinyl)benzonitrile

2-(3-bromo-2-oxo-5-pyridin-2-yl-1-pyridinyl)benzonitrile (PubChem CID 71534427) has the molecular formula C17H10BrN3O and a molecular weight of 352.19 g/mol. Its IUPAC name is 2-(3-bromo-2-oxo-5-pyridin-2-yl-1-pyridinyl)benzonitrile.

Molecular Properties

Compound Name2-(3-bromo-2-oxo-5-pyridin-2-yl-1-pyridinyl)benzonitrile
PubChem CID71534427
Molecular FormulaC17H10BrN3O
Molecular Weight352.19 g/mol
Exact Mass351.00
IUPAC Name2-(3-bromo-2-oxo-5-pyridin-2-yl-1-pyridinyl)benzonitrile
SMILESN#Cc1ccccc1-n1cc(-c2ccccn2)cc(Br)c1=O
InChIInChI=1S/C17H10BrN3O/c18-14-9-13(15-6-3-4-8-20-15)11-21(17(14)22)16-7-2-1-5-12(16)10-19/h1-9,11H
InChIKeyYOAMZRXUTZXZBO-UHFFFAOYSA-N
XLogP3.53
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-bromo-2-oxo-5-pyridin-2-yl-1-pyridinyl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-oxo-5-pyridin-2-yl-1-pyridinyl)benzonitrile?
The IUPAC name of 2-(3-bromo-2-oxo-5-pyridin-2-yl-1-pyridinyl)benzonitrile (CID 71534427) is 2-(3-bromo-2-oxo-5-pyridin-2-yl-1-pyridinyl)benzonitrile.
What is the SMILES notation for 2-(3-bromo-2-oxo-5-pyridin-2-yl-1-pyridinyl)benzonitrile?
The canonical SMILES for 2-(3-bromo-2-oxo-5-pyridin-2-yl-1-pyridinyl)benzonitrile is N#Cc1ccccc1-n1cc(-c2ccccn2)cc(Br)c1=O.
What is the InChIKey of 2-(3-bromo-2-oxo-5-pyridin-2-yl-1-pyridinyl)benzonitrile?
The InChIKey is YOAMZRXUTZXZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrN3O/c18-14-9-13(15-6-3-4-8-20-15)11-21(17(14)22)16-7-2-1-5-12(16)10-19/h1-9,11H.
What are the key properties of 2-(3-bromo-2-oxo-5-pyridin-2-yl-1-pyridinyl)benzonitrile?
2-(3-bromo-2-oxo-5-pyridin-2-yl-1-pyridinyl)benzonitrile has a molecular weight of 352.19 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-oxo-5-pyridin-2-yl-1-pyridinyl)benzonitrile is sourced from PubChem (CID 71534427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).