Cas no 463335-82-2 (2-(6-Bromopyridin-2-yl)benzonitrile)
463335-82-2 structure
Product Name:2-(6-Bromopyridin-2-yl)benzonitrile
CAS No:463335-82-2
MF:C12H7BrN2
MW:259.101381540298
CID:2644335
PubChem ID:22180785
Update Time:2025-04-21
2-(6-Bromopyridin-2-yl)benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-(6-bromopyridin-2-yl)benzonitrile
- PGIIHMMVDLGRKC-UHFFFAOYSA-N
- SCHEMBL2649479
- DTXSID20623311
- DA-05679
- Benzonitrile, 2-(6-bromo-2-pyridinyl)-
- 463335-82-2
- 2-(6-Bromopyridin-2-yl)benzonitrile
-
- Inchi： 1S/C12H7BrN2/c13-12-7-3-6-11(15-12)10-5-2-1-4-9(10)8-14/h1-7H
- InChI Key： PGIIHMMVDLGRKC-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(C2C=CC=CC=2C#N)=N1
Computed Properties
- Exact Mass: 257.97926Da
- Monoisotopic Mass: 257.97926Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 258
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 36.7?2
2-(6-Bromopyridin-2-yl)benzonitrile Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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