Cas no 1292287-10-5 (2-chloro-7H-Pyrrolo[2,3-d]pyrimidine-4-carboxylic acid methyl ester)
1292287-10-5 structure
Product Name:2-chloro-7H-Pyrrolo[2,3-d]pyrimidine-4-carboxylic acid methyl ester
CAS No:1292287-10-5
MF:C8H6ClN3O2
MW:211.605140209198
CID:1104182
PubChem ID:86668742
Update Time:2025-04-20
2-chloro-7H-Pyrrolo[2,3-d]pyrimidine-4-carboxylic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-chloro-7H-Pyrrolo[2,3-d]pyrimidine-4-carboxylic acid methyl ester
- methyl 2-chloro-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate
- SCHEMBL1654481
- KACZALGUAHWJIU-UHFFFAOYSA-N
- 2-chloro-4-methoxycarbonyl-7H-pyrrolo[2,3-d]pyrimidine
- 1292287-10-5
- methyl2-chloro-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate
- CS-0184715
- SB12997
-
- Inchi: 1S/C8H6ClN3O2/c1-14-7(13)5-4-2-3-10-6(4)12-8(9)11-5/h2-3H,1H3,(H,10,11,12)
- InChI Key: KACZALGUAHWJIU-UHFFFAOYSA-N
- SMILES: ClC1=NC(C(=O)OC)=C2C=CNC2=N1
Computed Properties
- Exact Mass: 211.0148541g/mol
- Monoisotopic Mass: 211.0148541g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 239
- 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: 67.9?2
2-chloro-7H-Pyrrolo[2,3-d]pyrimidine-4-carboxylic acid methyl ester Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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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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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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