Cas no 1373337-82-6 (tert-Butyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate)
1373337-82-6 structure
Product Name:tert-Butyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
CAS No:1373337-82-6
MF:C12H13ClN2O2
MW:252.696821928024
CID:6936574
PubChem ID:125511099
Update Time:2025-05-08
tert-Butyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate Chemical and Physical Properties
Names and Identifiers
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- 1373337-82-6
- DB-126169
- tert-butyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
- tert-Butyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
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- Inchi: 1S/C12H13ClN2O2/c1-12(2,3)17-11(16)15-7-6-8-4-5-9(13)14-10(8)15/h4-7H,1-3H3
- InChI Key: MMHXETBPWSKMOO-UHFFFAOYSA-N
- SMILES: ClC1=CC=C2C=CN(C(=O)OC(C)(C)C)C2=N1
Computed Properties
- Exact Mass: 252.0665554Da
- Monoisotopic Mass: 252.0665554Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 303
- 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: 3.5
- Topological Polar Surface Area: 44.1?2
tert-Butyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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