Cas no 666735-10-0 (Isoquinoline, 6-methoxy-7-(2-pyridinyl)-)
666735-10-0 structure
Product Name:Isoquinoline, 6-methoxy-7-(2-pyridinyl)-
CAS No:666735-10-0
MF:C15H12N2O
MW:236.268583297729
CID:1711331
PubChem ID:23078476
Update Time:2025-04-21
Isoquinoline, 6-methoxy-7-(2-pyridinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 6-methoxy-7-(2-pyridinyl)-
- 6-methoxy-7-pyridin-2-yl-isoquinoline
- 6-Methoxy-7-(2-pyridinyl)isoquinoline
- 666735-10-0
- DB-415126
- SCHEMBL3898528
- OQLGQAXHAHRVRO-UHFFFAOYSA-N
-
- Inchi： 1S/C15H12N2O/c1-18-15-9-11-5-7-16-10-12(11)8-13(15)14-4-2-3-6-17-14/h2-10H,1H3
- InChI Key： OQLGQAXHAHRVRO-UHFFFAOYSA-N
- SMILES： O(C)C1=CC2C=CN=CC=2C=C1C1C=CC=CN=1
Computed Properties
- Exact Mass: 236.09506
- Monoisotopic Mass: 236.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 271
- 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: 2.7
- Topological Polar Surface Area: 35?2
Experimental Properties
- PSA: 35.01
Isoquinoline, 6-methoxy-7-(2-pyridinyl)- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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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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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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