Cas no 161373-44-0 (3-Cinnolinecarboxylicacid, 4-amino-7-fluoro-)
161373-44-0 structure
Product Name:3-Cinnolinecarboxylicacid, 4-amino-7-fluoro-
CAS No:161373-44-0
MF:C9H6FN3O2
MW:207.161244869232
CID:187363
PubChem ID:3074775
Update Time:2025-04-19
3-Cinnolinecarboxylicacid, 4-amino-7-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- 3-Cinnolinecarboxylicacid, 4-amino-7-fluoro-
- 4-amino-7-fluorocinnoline-3-carboxylic acid
- 3-Cinnolinecarboxylic acid,4-amino-7-fluoro-,hydrate
- 3-Cinnolinecarboxylicacid,4-amino-7-fluoro
- 4-Amino-7-fluoro-3-cinnolinecarboxylic acid hydrate
- 3-Cinnolinecarboxylicacid,4-amino-7-fluoro-(9CI)
- 3-Cinnolinecarboxylic acid, 4-amino-7-fluoro-, hydrate
- 161373-44-0
- DTXSID30167130
-
- Inchi： 1S/C9H6FN3O2/c10-4-1-2-5-6(3-4)12-13-8(7(5)11)9(14)15/h1-3H,(H2,11,12)(H,14,15)
- InChI Key： BEWFSFYJMYHJPE-UHFFFAOYSA-N
- SMILES： FC1C=CC2C(=C(C(=O)O)N=NC=2C=1)N
Computed Properties
- Exact Mass: 225.05500
- Monoisotopic Mass: 207.04440460g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 264
- 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: 1
- Topological Polar Surface Area: 89.1?2
Experimental Properties
- PSA: 98.33000
- LogP: 1.56620
3-Cinnolinecarboxylicacid, 4-amino-7-fluoro- Related Literature
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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