Cas no 56331-50-1 (3-Pyridinecarbonitrile, 2-chloro-6-[(2-hydroxyethyl)amino]-4-methyl-)
![3-Pyridinecarbonitrile, 2-chloro-6-[(2-hydroxyethyl)amino]-4-methyl- structure](https://ossimg.kuujia.com/scimg/56500/56331-50-1x500.png)
56331-50-1 structure
Product Name:3-Pyridinecarbonitrile, 2-chloro-6-[(2-hydroxyethyl)amino]-4-methyl-
CAS No:56331-50-1
MF:C9H10ClN3O
MW:211.648200511932
CID:349178
PubChem ID:15707501
Update Time:2025-04-19
3-Pyridinecarbonitrile, 2-chloro-6-[(2-hydroxyethyl)amino]-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarbonitrile, 2-chloro-6-[(2-hydroxyethyl)amino]-4-methyl-
- 2-chloro-6-(2-hydroxyethylamino)-4-methylpyridine-3-carbonitrile
- DTXSID10577112
- 56331-50-1
- 2-Chloro-6-[(2-hydroxyethyl)amino]-4-methylpyridine-3-carbonitrile
-
- Inchi： 1S/C9H10ClN3O/c1-6-4-8(12-2-3-14)13-9(10)7(6)5-11/h4,14H,2-3H2,1H3,(H,12,13)
- InChI Key： ZSXUGDLUFJVCNI-UHFFFAOYSA-N
- SMILES： ClC1=C(C#N)C(C)=CC(=N1)NCCO
Computed Properties
- Exact Mass: 211.0514
- Monoisotopic Mass: 211.0512396g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 227
- 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: 68.9?2
Experimental Properties
- PSA: 68.94
3-Pyridinecarbonitrile, 2-chloro-6-[(2-hydroxyethyl)amino]-4-methyl- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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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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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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