Cas no 5174-87-8 (Ethanone,1-(2-methyl-1,8-naphthyridin-3-yl)-)
5174-87-8 structure
Product Name:Ethanone,1-(2-methyl-1,8-naphthyridin-3-yl)-
CAS No:5174-87-8
MF:C11H10N2O
MW:186.20990228653
CID:379921
PubChem ID:145780
Update Time:2025-04-19
Ethanone,1-(2-methyl-1,8-naphthyridin-3-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(2-methyl-1,8-naphthyridin-3-yl)-
- Ketone, methyl 2-methyl-1,8-naphthyridin-3-yl
- 1-(2-methyl-1,8-naphthyridin-3-yl)ethanone
- SCHEMBL3458121
- DMQSQWHFHOPPEI-UHFFFAOYSA-N
- 5174-87-8
- Ethanone, 1-(2-methyl-1,8-naphthyridin-3-yl)-
- DTXSID90199679
-
- Inchi： 1S/C11H10N2O/c1-7-10(8(2)14)6-9-4-3-5-12-11(9)13-7/h3-6H,1-2H3
- InChI Key： DMQSQWHFHOPPEI-UHFFFAOYSA-N
- SMILES： O=C(C)C1=CC2=CC=CN=C2N=C1C
Computed Properties
- Exact Mass: 186.0794
- Monoisotopic Mass: 186.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 229
- 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: 1.5
- Topological Polar Surface Area: 42.8?2
Experimental Properties
- PSA: 42.85
Ethanone,1-(2-methyl-1,8-naphthyridin-3-yl)- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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