Cas no 744209-87-8 (1H-Indole-3-carboxamide,5-fluoro-)
744209-87-8 structure
Product Name:1H-Indole-3-carboxamide,5-fluoro-
CAS No:744209-87-8
MF:C9H7FN2O
MW:178.163085222244
CID:560590
PubChem ID:11469397
Update Time:2025-04-19
1H-Indole-3-carboxamide,5-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-carboxamide,5-fluoro-
- 5-FLUORO-1H-INDOLE-3-CARBOXAMIDE
- 1H-Indole-3-carboxamide,5-fluoro
- FT-0692731
- SCHEMBL785485
- DTXSID30466832
- AKOS006284244
- 744209-87-8
-
- Inchi： 1S/C9H7FN2O/c10-5-1-2-8-6(3-5)7(4-12-8)9(11)13/h1-4,12H,(H2,11,13)
- InChI Key： GXSNICHQWUUDOK-UHFFFAOYSA-N
- SMILES： FC1C=CC2=C(C=1)C(C(N)=O)=CN2
Computed Properties
- Exact Mass: 178.05400
- Monoisotopic Mass: 178.05424101g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 222
- 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: 1.4
- Topological Polar Surface Area: 58.9?2
Experimental Properties
- PSA: 58.88000
- LogP: 2.10620
1H-Indole-3-carboxamide,5-fluoro- Related Literature
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Indoles and derivatives Indolecarboxamides and derivatives
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Indoles and derivatives Indolecarboxylic acids and derivatives Indolecarboxamides and derivatives
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