Cas no 1400287-58-2 (6-bromo-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde)
1400287-58-2 structure
Product Name:6-bromo-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde
CAS No:1400287-58-2
MF:C8H5BrN2O
MW:225.042100667953
CID:2108094
Update Time:2023-11-19
6-bromo-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 6-bromo-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde
- 1H-Pyrrolo[3,2-c]pyridine-2-carboxaldehyde, 6-bromo-
- RVTHQQXOTHUOBS-UHFFFAOYSA-N
- CID 86706321
-
- Inchi: 1S/C8H5BrN2O/c9-8-2-7-5(3-10-8)1-6(4-12)11-7/h1-4,11H
- InChI Key: RVTHQQXOTHUOBS-UHFFFAOYSA-N
- SMILES: BrC1=CC2=C(C=N1)C=C(C=O)N2
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 188
- Topological Polar Surface Area: 45.8
Experimental Properties
- Density: 1.830±0.06 g/cm3(Predicted)
- Boiling Point: 442.2±40.0 °C(Predicted)
- pka: 12.32±0.40(Predicted)
6-bromo-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde Related Literature
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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