Cas no 114969-80-1 (5-Bromo-4-methylpyrimidine-2-carbonitrile)
114969-80-1 structure
Product Name:5-Bromo-4-methylpyrimidine-2-carbonitrile
CAS No:114969-80-1
MF:C6H4BrN3
MW:198.020059585571
CID:2877084
PubChem ID:13860977
Update Time:2025-04-21
5-Bromo-4-methylpyrimidine-2-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- DTXSID501272277
- 2-Pyrimidinecarbonitrile, 5-bromo-4-methyl-
- SCHEMBL14142809
- DB-427592
- 5-Bromo-4-methyl-2-pyrimidinecarbonitrile
- 114969-80-1
- 5-Bromo-4-methylpyrimidine-2-carbonitrile
-
- Inchi： 1S/C6H4BrN3/c1-4-5(7)3-9-6(2-8)10-4/h3H,1H3
- InChI Key： QDFZOFDLUXSSEY-UHFFFAOYSA-N
- SMILES： BrC1=CN=C(C#N)N=C1C
Computed Properties
- Exact Mass: 196.95886Da
- Monoisotopic Mass: 196.95886Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 162
- 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: 1.3
- Topological Polar Surface Area: 49.6?2
5-Bromo-4-methylpyrimidine-2-carbonitrile Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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