Cas no 3423-44-7 (3-Pyridinecarboxamide,4-cyano-)
3423-44-7 structure
Product Name:3-Pyridinecarboxamide,4-cyano-
CAS No:3423-44-7
MF:C7H5N3O
MW:147.134100675583
CID:295672
PubChem ID:71437105
Update Time:2025-04-19
3-Pyridinecarboxamide,4-cyano- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxamide,4-cyano-
- Nicotinamide,4-cyano- (6CI,7CI,8CI)
- 4-Cyano-3-pyridinecarboxamide
- 4-Cyanonicotinamide
- DTXSID701308135
- 3423-44-7
-
- Inchi： 1S/C7H5N3O/c8-3-5-1-2-10-4-6(5)7(9)11/h1-2,4H,(H2,9,11)
- InChI Key： MIEZARLQYYEJHI-UHFFFAOYSA-N
- SMILES： O=C(C1C=NC=CC=1C#N)N
Computed Properties
- Exact Mass: 147.04335
- Monoisotopic Mass: 147.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 205
- 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
- Topological Polar Surface Area: 79.8A^2
- XLogP3: -0.6
Experimental Properties
- PSA: 79.77
3-Pyridinecarboxamide,4-cyano- Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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