Cas no 2853-30-7 (1-Methyl-5-nitro-1H-pyrrole-2-carbonitrile)
2853-30-7 structure
Product Name:1-Methyl-5-nitro-1H-pyrrole-2-carbonitrile
CAS No:2853-30-7
MF:C6H5N3O2
MW:151.122800588608
CID:2839246
PubChem ID:21459532
Update Time:2025-04-21
1-Methyl-5-nitro-1H-pyrrole-2-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 1-METHYL-5-NITRO-1H-PYRROLE-2-CARBONITRILE
- 2853-30-7
- SCHEMBL4279431
- 5-Nitro-1-methyl-1H-pyrrole-2-carbonitrile
- XQTJQMDEPQQDJX-UHFFFAOYSA-N
- AB65673
- 1-Methyl-5-nitro-1H-pyrrole-2-carbonitrile
-
- Inchi： 1S/C6H5N3O2/c1-8-5(4-7)2-3-6(8)9(10)11/h2-3H,1H3
- InChI Key： XQTJQMDEPQQDJX-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC=C(C#N)N1C)=O
Computed Properties
- Exact Mass: 151.038176411Da
- Monoisotopic Mass: 151.038176411Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 214
- 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: 1.4
- Topological Polar Surface Area: 74.5?2
1-Methyl-5-nitro-1H-pyrrole-2-carbonitrile Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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