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5-(TRIFLUOROMETHYL)NICOTINONITRILE structure

5-(TRIFLUOROMETHYL)NICOTINONITRILE
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1. Names and Identifiers
1.1 Name
5-(TRIFLUOROMETHYL)NICOTINONITRILE
1.2 Synonyms
3-Pyridinecarbonitrile, 5-(trifluoroMethyl)-; 5-(TRIFLUOROMETHYL)NICOTINONITRILE; 5-(Trifluoromethyl)pyridine-3-carbonitrile;
1.3 CAS No.
951624-83-2
1.4 CID
28306168
1.5 Molecular Formula
C7H3F3N2
1.6 Inchi
InChI=1S/C7H3F3N2/c8-7(9,10)6-1-5(2-11)3-12-4-6/h1,3-4H
1.7 InChkey
HAWFNLPVIMFXGB-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=C(C=NC=C1C(F)(F)F)C#N
1.9 Isomers Smiles
C1=C(C=NC=C1C(F)(F)F)C#N
2. Properties
2.1 pKa
-0?+-.0.20(Predicted)
3. Synthesis Route
951624-83-2Total: 1 Synthesis Route
 
557-21-1
557-21-1
 
436799-33-6
436799-33-6 74 Suppliers
 
951624-83-2
951624-83-2 13 Suppliers
4. Precursor and Product
precursor:
436799-33-6
436799-33-6
product:
766513-53-5
766513-53-5
5. Computed Properties
  • Molecular Weight：172.1073296g/mol
  • Molecular Formula：C7H3F3N2
  • Compound Is Canonicalized：True
  • Exact Mass：1.5
  • XLogP3-AA：172.02483259
  • Monoisotopic Mass：172.02483259
  • Complexity：202
  • Rotatable Bond Count：0
  • Hydrogen Bond Donor Count：0
  • Hydrogen Bond Acceptor Count：5
  • Topological Polar Surface Area：36.7
  • Heavy Atom Count：：12
  • Defined Atom Stereocenter Count：0
  • Undefined Atom Stereocenter Count：0
  • Defined Bond Stereocenter Count：0
  • Undefined Bond Stereocenter Count：0
  • Isotope Atom Count：0
  • Covalently-Bonded Unit Count：1
  • CACTVS Substructure Key Fingerprint：AAADcQBjAYAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHQAAAAAADADBGhQ8gJIIEACwBjBnRACigCAxACAA2CAoRJgIoOLAkZGEIAhggADIyA4QAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Toltal 12 Suppliers View more
3-Cyano-5-(trifluoromethyl)-pyridine
Dayang Chem (Hangzhou) Co., Ltd.
 1YR   China
Tel: Update Time:2024/06/17
inquire
5-(Trifluoromethyl)Nicotinonitrile
AOPHARM
  China
Tel: Update Time:2019/05/05
inquire
5-(Trifluoromethyl)nicotinonitrile
Nanjing Chemlin Chemical Co., Ltd.
  China
Tel: Update Time:2024/03/04
inquire
3-Pyridinecarbonitrile,5-(trifluoromethyl)-
Zhejiang Haiqiang Chemical Co.,Ltd.
  China
Tel: Update Time:2019/06/12
inquire
5-(Trifluoromethyl)nicotinonitrile
Shanghai Hope Chem Co., Ltd.
  China
Tel: Update Time:2018/11/21
inquire
7. Realated Product Infomation
 
1. Names and Identifiers
2. Properties
3. Synthesis Route
4. Precursor and Product
5. Computational chemical data
6. Toltal 12 Suppliers
7. Realated Product Infomation
 
 
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