Cas no 908297-79-0 (1,3-Bis(5-carboxypyridin-2-yl)benzene)
908297-79-0 structure
Product Name:1,3-Bis(5-carboxypyridin-2-yl)benzene
CAS No:908297-79-0
MF:C18H12N2O4
MW:320.298884391785
CID:995146
PubChem ID:53421671
Update Time:2025-04-20
1,3-Bis(5-carboxypyridin-2-yl)benzene Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Bis(5-carboxypyridin-2-yl)benzene
- 6-[3-(5-carboxypyridin-2-yl)phenyl]pyridine-3-carboxylic acid
- SCHEMBL503140
- DTXSID90697862
- 6,6'-(1,3-Phenylene)di(pyridine-3-carboxylic acid)
- 6-QUINOLIN-4-YL-NICOTINIC ACID
- 908297-79-0
-
- Inchi： 1S/C18H12N2O4/c21-17(22)13-4-6-15(19-9-13)11-2-1-3-12(8-11)16-7-5-14(10-20-16)18(23)24/h1-10H,(H,21,22)(H,23,24)
- InChI Key： XQWBCMOMUOHVIA-UHFFFAOYSA-N
- SMILES： OC(C1=CN=C(C=C1)C1C=CC=C(C2C=CC(C(=O)O)=CN=2)C=1)=O
Computed Properties
- Exact Mass: 320.08000
- Monoisotopic Mass: 320.08
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 430
- 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
- Topological Polar Surface Area: 100A^2
- XLogP3: 2.2
Experimental Properties
- PSA: 100.38000
- LogP: 3.20700
1,3-Bis(5-carboxypyridin-2-yl)benzene Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
908297-79-0 (1,3-Bis(5-carboxypyridin-2-yl)benzene) Related Products
- 29051-44-3(6-Phenylnicotinic acid)
- 521074-77-1(6-(4-methylphenyl)pyridine-3-carboxylic acid)
- 55240-51-2(2-Phenylisonicotinic acid)
- 887975-97-5(6-(3-Cyanophenyl)nicotinic acid)
- 887976-22-9(6-(3-methylphenyl)pyridine-3-carboxylic acid)
- 33421-39-5(2-Phenylnicotinic acid)
- 4467-07-6(3-(Pyridin-2-yl)benzoic acid)
- 4385-62-0(4-(2-Pyridinyl)benzoic Acid)
- 175153-32-9(6-(2-methylphenyl)pyridine-3-carboxylic acid)
- 648898-18-4(6-(4-Cyanophenyl)nicotinic acid)
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