Cas no 954112-62-0 (1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXALDEHYDE, 5-CHLORO-2-METHYL-)
![1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXALDEHYDE, 5-CHLORO-2-METHYL- structure](https://ossimg.kuujia.com/scimg/954500/954112-62-0x500.png)
954112-62-0 structure
Product Name:1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXALDEHYDE, 5-CHLORO-2-METHYL-
CAS No:954112-62-0
MF:C9H7ClN2O
MW:194.61768078804
CID:835114
PubChem ID:73013631
Update Time:2025-04-19
1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXALDEHYDE, 5-CHLORO-2-METHYL- Chemical and Physical Properties
Names and Identifiers
-
- 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXALDEHYDE, 5-CHLORO-2-METHYL-
- 5-Chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
- 954112-62-0
-
- Inchi： 1S/C9H7ClN2O/c1-5-8(4-13)7-2-6(10)3-11-9(7)12-5/h2-4H,1H3,(H,11,12)
- InChI Key： OYQHOLFQTSKZTP-UHFFFAOYSA-N
- SMILES： ClC1=CN=C2C(=C1)C(C=O)=C(C)N2
Computed Properties
- Exact Mass: 194.0246905g/mol
- Monoisotopic Mass: 194.0246905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 212
- 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: 1.8
- Topological Polar Surface Area: 45.8?2
1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXALDEHYDE, 5-CHLORO-2-METHYL- Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
954112-62-0 (1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXALDEHYDE, 5-CHLORO-2-METHYL-) Related Products
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