Cas no 139086-98-9 (Acetamide, N-(3-amino-6-chloro-2-pyridinyl)-)
139086-98-9 structure
Product Name:Acetamide, N-(3-amino-6-chloro-2-pyridinyl)-
CAS No:139086-98-9
MF:C7H8ClN3O
MW:185.610919952393
CID:1260702
PubChem ID:85628103
Update Time:2025-04-20
Acetamide, N-(3-amino-6-chloro-2-pyridinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Acetamide, N-(3-amino-6-chloro-2-pyridinyl)-
- 2-acetamido-3-amino-6-chloropyridine
- N-(3-Amino-6-chloro-2-pyridinyl)acetamide
- 139086-98-9
- DTXSID801271092
-
- Inchi： 1S/C7H8ClN3O/c1-4(12)10-7-5(9)2-3-6(8)11-7/h2-3H,9H2,1H3,(H,10,11,12)
- InChI Key： NNPAEBBFBQXHNV-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C(=N1)NC(C)=O)N
Computed Properties
- Exact Mass: 185.03600
- Monoisotopic Mass: 185.0355896g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 176
- 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: 0.6
- Topological Polar Surface Area: 68?2
Experimental Properties
- PSA: 68.01000
- LogP: 1.92980
Acetamide, N-(3-amino-6-chloro-2-pyridinyl)- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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