Cas no 40899-46-5 (3-Pyridinemethanol,4-chloro-, hydrobromide (1:1))
40899-46-5 structure
Product Name:3-Pyridinemethanol,4-chloro-, hydrobromide (1:1)
CAS No:40899-46-5
MF:C6H7BrClNO
MW:224.48287987709
CID:332442
PubChem ID:24200239
Update Time:2025-04-19
3-Pyridinemethanol,4-chloro-, hydrobromide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinemethanol,4-chloro-, hydrobromide (1:1)
- (4-chloropyridin-3-yl)methanol,hydrobromide
- NSC364016
- NSC-364016
- (4-Chloropyridin-3-yl)methanol--hydrogen bromide (1/1)
- DTXSID30639362
- 40899-46-5
-
- Inchi： 1S/C6H6ClNO.BrH/c7-6-1-2-8-3-5(6)4-9;/h1-3,9H,4H2;1H
- InChI Key： LXYKRJZEFKVIHH-UHFFFAOYSA-N
- SMILES： Br.ClC1C=CN=CC=1CO
Computed Properties
- Exact Mass: 222.94000
- Monoisotopic Mass: 222.93995g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 89.1
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 33.1?2
Experimental Properties
- PSA: 33.12000
- LogP: 2.18540
3-Pyridinemethanol,4-chloro-, hydrobromide (1:1) Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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