Cas no 850240-53-8 (3-PYRIDINECARBOXAMIDE, 2,6-DIMETHOXY-)
850240-53-8 structure
Product Name:3-PYRIDINECARBOXAMIDE, 2,6-DIMETHOXY-
CAS No:850240-53-8
MF:C8H10N2O3
MW:182.176601886749
CID:3298741
PubChem ID:17984232
Update Time:2025-04-21
3-PYRIDINECARBOXAMIDE, 2,6-DIMETHOXY- Chemical and Physical Properties
Names and Identifiers
-
- 3-PYRIDINECARBOXAMIDE, 2,6-DIMETHOXY-
- 2,6-dimethoxynicotinamide
- SCHEMBL5010608
- 850240-53-8
-
- Inchi： 1S/C8H10N2O3/c1-12-6-4-3-5(7(9)11)8(10-6)13-2/h3-4H,1-2H3,(H2,9,11)
- InChI Key： SZXVYHAENDJPAL-UHFFFAOYSA-N
- SMILES： O(C)C1C(C(N)=O)=CC=C(N=1)OC
Computed Properties
- Exact Mass: 182.06914219g/mol
- Monoisotopic Mass: 182.06914219g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 186
- 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: 0.3
- Topological Polar Surface Area: 74.4?2
3-PYRIDINECARBOXAMIDE, 2,6-DIMETHOXY- 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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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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