Cas no 36757-37-6 (2-Pyridinecarboxamide, 6-methyl-5-nitro-)
36757-37-6 structure
Product Name:2-Pyridinecarboxamide, 6-methyl-5-nitro-
CAS No:36757-37-6
MF:C7H7N3O3
MW:181.148781061172
CID:292442
PubChem ID:12404039
Update Time:2025-04-19
2-Pyridinecarboxamide, 6-methyl-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinecarboxamide, 6-methyl-5-nitro-
- 6-methyl-5-nitro-2-Pyridinecarboxamide
- 6-methyl-5-nitropyridine-2-carboxamide
- FT-0729557
- SCHEMBL11722947
- 36757-37-6
- DTXSID00496641
-
- Inchi： 1S/C7H7N3O3/c1-4-6(10(12)13)3-2-5(9-4)7(8)11/h2-3H,1H3,(H2,8,11)
- InChI Key： XSADUISMUXTHPH-UHFFFAOYSA-N
- SMILES： O=C(C1=CC=C(C(C)=N1)[N+](=O)[O-])N
Computed Properties
- Exact Mass: 181.04881
- Monoisotopic Mass: 181.04874109g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 226
- 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: 0.3
- Topological Polar Surface Area: 102?2
Experimental Properties
- PSA: 99.12
2-Pyridinecarboxamide, 6-methyl-5-nitro- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
36757-37-6 (2-Pyridinecarboxamide, 6-methyl-5-nitro-) Related Products
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