Cas no 57927-99-8 (Pyridine, 2-methyl-3,5-dinitro-)
57927-99-8 structure
Product Name:Pyridine, 2-methyl-3,5-dinitro-
CAS No:57927-99-8
MF:C6H5N3O4
MW:183.121600866318
CID:343755
PubChem ID:15554706
Update Time:2025-04-19
Pyridine, 2-methyl-3,5-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Pyridine, 2-methyl-3,5-dinitro-
- 2-methyl-3,5-dinitropyridine
- SCHEMBL3934740
- DTXSID90574023
- 57927-99-8
-
- Inchi： 1S/C6H5N3O4/c1-4-6(9(12)13)2-5(3-7-4)8(10)11/h2-3H,1H3
- InChI Key： KCVGGFSEOSVOQH-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC(=CN=C1C)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 183.02805
- Monoisotopic Mass: 183.02800565g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 221
- 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: 0.9
- Topological Polar Surface Area: 105?2
Experimental Properties
- PSA: 99.17
Pyridine, 2-methyl-3,5-dinitro- Related Literature
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
57927-99-8 (Pyridine, 2-methyl-3,5-dinitro-) Related Products
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- 51984-61-3(2-Methyl-5-nitropyridin-3-amine)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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