Cas no 139549-01-2 (5-ethyl-2-methoxy-3-Pyridinecarbonitrile)
139549-01-2 structure
Product Name:5-ethyl-2-methoxy-3-Pyridinecarbonitrile
CAS No:139549-01-2
MF:C9H10N2O
MW:162.188501834869
CID:1105716
PubChem ID:10057828
Update Time:2025-04-20
5-ethyl-2-methoxy-3-Pyridinecarbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 5-ethyl-2-methoxy-3-Pyridinecarbonitrile
- 5-ethyl-2-methoxynicotinonitrile
- SCHEMBL9846240
- 139549-01-2
- DA-20998
-
- Inchi: 1S/C9H10N2O/c1-3-7-4-8(5-10)9(12-2)11-6-7/h4,6H,3H2,1-2H3
- InChI Key: BUGDYYJRRFRLSO-UHFFFAOYSA-N
- SMILES: O(C)C1=C(C#N)C=C(C=N1)CC
Computed Properties
- Exact Mass: 162.0794
- Monoisotopic Mass: 162.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 184
- 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: 1.7
- Topological Polar Surface Area: 45.9?2
Experimental Properties
- PSA: 45.91
5-ethyl-2-methoxy-3-Pyridinecarbonitrile Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
139549-01-2 (5-ethyl-2-methoxy-3-Pyridinecarbonitrile) Related Products
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- 7254-34-4(2-methoxypyridine-3-carbonitrile)
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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