Cas no 156395-14-1 (1H-Pyrrole-2-carboxamide,5-fluoro-N,N-dimethyl-)
156395-14-1 structure
Product Name:1H-Pyrrole-2-carboxamide,5-fluoro-N,N-dimethyl-
CAS No:156395-14-1
MF:C7H9FN2O
MW:156.157564878464
CID:107461
PubChem ID:10866579
Update Time:2025-04-18
1H-Pyrrole-2-carboxamide,5-fluoro-N,N-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carboxamide,5-fluoro-N,N-dimethyl-
- 5-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide
- 5-fluor-N,N-dimethyl-1H-pyrrol-2-carboxamid
- 1H-Pyrrole-2-carboxamide,5-fluoro-N,N-dimethyl-(9CI)
- DTXSID90446332
- 156395-14-1
- AKOS006309940
- DTXCID90397153
-
- Inchi： 1S/C7H9FN2O/c1-10(2)7(11)5-3-4-6(8)9-5/h3-4,9H,1-2H3
- InChI Key： JKXZYDQBSHHVIG-UHFFFAOYSA-N
- SMILES： FC1=CC=C(C(N(C)C)=O)N1
Computed Properties
- Exact Mass: 156.07000
- Monoisotopic Mass: 156.06989108g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 161
- 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: 0.9
- Topological Polar Surface Area: 36.1?2
Experimental Properties
- PSA: 36.10000
- LogP: 0.85560
1H-Pyrrole-2-carboxamide,5-fluoro-N,N-dimethyl- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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