Cas no 62458-81-5 (3-Pyridinecarboxamide, 4-chloro-N-(1-methylethyl)-)
62458-81-5 structure
Product Name:3-Pyridinecarboxamide, 4-chloro-N-(1-methylethyl)-
CAS No:62458-81-5
MF:C9H11ClN2O
MW:198.649441003799
CID:444039
PubChem ID:19596429
Update Time:2025-04-19
3-Pyridinecarboxamide, 4-chloro-N-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxamide, 4-chloro-N-(1-methylethyl)-
- 4-chloro-N-propan-2-ylpyridine-3-carboxamide
- DTXSID50598922
- 62458-81-5
- SCHEMBL8485471
- 4-Chloro-N-(propan-2-yl)pyridine-3-carboxamide
- AKOS019797693
-
- Inchi： 1S/C9H11ClN2O/c1-6(2)12-9(13)7-5-11-4-3-8(7)10/h3-6H,1-2H3,(H,12,13)
- InChI Key： ZMFKIRMODNGXAS-UHFFFAOYSA-N
- SMILES： ClC1C=CN=CC=1C(NC(C)C)=O
Computed Properties
- Exact Mass: 198.05613
- Monoisotopic Mass: 198.0559907g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 185
- 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: 1.6
- Topological Polar Surface Area: 42?2
Experimental Properties
- PSA: 41.99
3-Pyridinecarboxamide, 4-chloro-N-(1-methylethyl)- Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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4. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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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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