Cas no 39161-37-0 (5-propylpyridine-2-carboxylic acid)
39161-37-0 structure
Product Name:5-propylpyridine-2-carboxylic acid
CAS No:39161-37-0
MF:C9H11NO2
MW:165.189142465591
CID:1499383
PubChem ID:217663
Update Time:2025-04-21
5-propylpyridine-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-propylpyridine-2-carboxylic acid
- 2-pyridinecarboxylic acid, 5-propyl-
- CHEMBL4790920
- BRN 0118245
- STK038598
- Q27167082
- Picolinic acid, 5-propyl-
- DTXSID30192402
- Oprea1_731380
- 39161-37-0
- 5-Propyl-2-pyridinecarboxylic acid
- Oprea1_249921
- 4-22-00-00752 (Beilstein Handbook Reference)
- 5-Propylpicolinic acid
- SCHEMBL7454734
- CHEBI:95246
- AKOS005383008
- CCG-214842
-
- Inchi： 1S/C9H11NO2/c1-2-3-7-4-5-8(9(11)12)10-6-7/h4-6H,2-3H2,1H3,(H,11,12)
- InChI Key： RAQLHHNBGLJEAK-UHFFFAOYSA-N
- SMILES： OC(C1=CC=C(C=N1)CCC)=O
Computed Properties
- Exact Mass: 165.07903
- Monoisotopic Mass: 165.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 159
- 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: 2.1
- Topological Polar Surface Area: 50.2?2
Experimental Properties
- PSA: 50.19
5-propylpyridine-2-carboxylic acid Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
39161-37-0 (5-propylpyridine-2-carboxylic acid) 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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