Cas no 736110-81-9 (2-Pyridinecarboxylicacid, 6-(aminomethyl)-1,4-dihydro-4-oxo-)
736110-81-9 structure
Product Name:2-Pyridinecarboxylicacid, 6-(aminomethyl)-1,4-dihydro-4-oxo-
CAS No:736110-81-9
MF:C7H8N2O3
MW:168.15002155304
CID:559675
PubChem ID:45082648
Update Time:2025-04-19
2-Pyridinecarboxylicacid, 6-(aminomethyl)-1,4-dihydro-4-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinecarboxylicacid, 6-(aminomethyl)-1,4-dihydro-4-oxo-
- 2-Pyridinecarboxylicacid,6-(aminomethyl)-1,4-dihydro-4-oxo-(9CI)
- 6-(aminomethyl)-4-oxo-1H-pyridine-2-carboxylic acid
- 6-(Aminomethyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid
- DTXSID40665314
- 736110-81-9
-
- Inchi： 1S/C7H8N2O3/c8-3-4-1-5(10)2-6(9-4)7(11)12/h1-2H,3,8H2,(H,9,10)(H,11,12)
- InChI Key： HDCFWSSSUYAODZ-UHFFFAOYSA-N
- SMILES： O=C1C=C(C(=O)O)NC(=C1)CN
Computed Properties
- Exact Mass: 168.053
- Monoisotopic Mass: 168.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 291
- 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: 92.4A^2
- XLogP3: -3.5
2-Pyridinecarboxylicacid, 6-(aminomethyl)-1,4-dihydro-4-oxo- Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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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
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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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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