Cas no 87388-66-7 (1H-Pyrrole-3-carbonitrile, 4-(3-pyridinyl)-)
87388-66-7 structure
Product Name:1H-Pyrrole-3-carbonitrile, 4-(3-pyridinyl)-
CAS No:87388-66-7
MF:C10H7N3
MW:169.182681322098
CID:656958
PubChem ID:15594731
Update Time:2025-04-19
1H-Pyrrole-3-carbonitrile, 4-(3-pyridinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-3-carbonitrile, 4-(3-pyridinyl)-
- 4-(3-PYRIDINYL)-1H-PYRROLE-3-CARBONITRILE
- 4-pyridin-3-yl-1H-pyrrole-3-carbonitrile
- SCHEMBL11937864
- 87388-66-7
- 4-(Pyridin-3-yl)-1H-pyrrole-3-carbonitrile
- DTXSID70575391
- AKOS006309045
-
- Inchi： 1S/C10H7N3/c11-4-9-6-13-7-10(9)8-2-1-3-12-5-8/h1-3,5-7,13H
- InChI Key： KWOATYWYEOGBAP-UHFFFAOYSA-N
- SMILES： N1C=C(C#N)C(=C1)C1C=NC=CC=1
Computed Properties
- Exact Mass: 169.063997236g/mol
- Monoisotopic Mass: 169.063997236g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 218
- 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
- Topological Polar Surface Area: 52.5?2
1H-Pyrrole-3-carbonitrile, 4-(3-pyridinyl)- Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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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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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
87388-66-7 (1H-Pyrrole-3-carbonitrile, 4-(3-pyridinyl)-) Related Products
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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)
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