Cas no 5603-03-2 (2-Pyridinecarboxylicacid, 3-hydroxy-, hydrochloride (1:1))
5603-03-2 structure
Product Name:2-Pyridinecarboxylicacid, 3-hydroxy-, hydrochloride (1:1)
CAS No:5603-03-2
MF:C6H6ClNO3
MW:175.569740772247
CID:384567
PubChem ID:54605744
Update Time:2025-04-19
2-Pyridinecarboxylicacid, 3-hydroxy-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinecarboxylicacid, 3-hydroxy-, hydrochloride (1:1)
- CTK1H4579; NSC82843; NSC-82843; 2-Pyridinecarboxylicacid, 3-hydroxy-, hydrochloride (1:1);
- NSC82843
- 5603-03-2
- DTXSID50714125
- NSC-82843
- 3-Hydroxypyridine-2-carboxylic acid--hydrogen chloride (1/1)
-
- Inchi： 1S/C6H5NO3.ClH/c8-4-2-1-3-7-5(4)6(9)10;/h1-3,8H,(H,9,10);1H
- InChI Key： WHVASCZAXWOMKX-UHFFFAOYSA-N
- SMILES： Cl.OC1=CC=CN=C1C(=O)O
Computed Properties
- Exact Mass: 175.00368
- Monoisotopic Mass: 175.0036207g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 137
- 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: 70.4?2
Experimental Properties
- PSA: 70.42
- LogP: 1.28740
2-Pyridinecarboxylicacid, 3-hydroxy-, hydrochloride (1:1) 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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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
5603-03-2 (2-Pyridinecarboxylicacid, 3-hydroxy-, hydrochloride (1:1)) Related Products
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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