Cas no 875232-74-9 (2-(3-METHYLPHENYL)-5-NITRO-PYRIDINE)
875232-74-9 structure
Product Name:2-(3-METHYLPHENYL)-5-NITRO-PYRIDINE
CAS No:875232-74-9
MF:C12H10N2O2
MW:214.220002651215
CID:2736497
Update Time:2023-11-18
2-(3-METHYLPHENYL)-5-NITRO-PYRIDINE Chemical and Physical Properties
Names and Identifiers
-
- 6-METHYL-4-OXO-1-PHENYL-1,4-DIHYDROPYRIDAZINE-3-CARBOXYLICACID
- CID 69716040
- 2-(3-METHYLPHENYL)-5-NITRO-PYRIDINE
- 5-nitro-2-(m-tolyl)pyridine
- Pyridine, 2-(3-methylphenyl)-5-nitro-
-
- Inchi： 1S/C12H10N2O2/c1-9-3-2-4-10(7-9)12-6-5-11(8-13-12)14(15)16/h2-8H,1H3
- InChI Key： WBLXEVRZCQXMIO-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CN=C(C=C1)C1=CC=CC(C)=C1)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 252
- XLogP3: 2.7
- Topological Polar Surface Area: 58.7
Experimental Properties
- Density: 1.216±0.06 g/cm3(Predicted)
- Boiling Point: 348.4±27.0 °C(Predicted)
- pka: 0.48±0.22(Predicted)
2-(3-METHYLPHENYL)-5-NITRO-PYRIDINE Related Literature
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Izumi Yamamoto,Gildas P. Deniau,Navnath Gavande,Mary Chebib,Graham A. R. Johnston,David O'Hagan Chem. Commun., 2011,47, 7956-7958
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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