Cas no 123846-68-4 (5-methyl-3-nitro-2-Pyridineacetonitrile)
123846-68-4 structure
Product Name:5-methyl-3-nitro-2-Pyridineacetonitrile
CAS No:123846-68-4
MF:C8H7N3O2
MW:177.160081148148
CID:1102759
PubChem ID:14381145
Update Time:2025-04-20
5-methyl-3-nitro-2-Pyridineacetonitrile Chemical and Physical Properties
Names and Identifiers
-
- 5-methyl-3-nitro-2-Pyridineacetonitrile
- 2-(5-methyl-3-nitropyridin-2-yl)acetonitrile
- 123846-68-4
- AKOS014315866
-
- MDL： MFCD11848721
- Inchi： 1S/C8H7N3O2/c1-6-4-8(11(12)13)7(2-3-9)10-5-6/h4-5H,2H2,1H3
- InChI Key： LCPSPEDKQLSATN-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC(C)=CN=C1CC#N)=O
Computed Properties
- Exact Mass: 177.053826475g/mol
- Monoisotopic Mass: 177.053826475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 240
- 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: 0.7
- Topological Polar Surface Area: 82.5?2
5-methyl-3-nitro-2-Pyridineacetonitrile Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
123846-68-4 (5-methyl-3-nitro-2-Pyridineacetonitrile) Related Products
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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