Cas no 3189-05-7 (1h-indol-3-yl(pyridin-4-yl)methanone)
3189-05-7 structure
Product Name:1h-indol-3-yl(pyridin-4-yl)methanone
CAS No:3189-05-7
MF:C14H10N2O
MW:222.24200296402
CID:916664
PubChem ID:285749
Update Time:2025-04-19
1h-indol-3-yl(pyridin-4-yl)methanone Chemical and Physical Properties
Names and Identifiers
-
- 1h-indol-3-yl(pyridin-4-yl)methanone
- AC1Q5GCX; AG-J-46929; AC1L63PR; (1H-indol-3-yl)(pyridin-4-yl)methanone; CTK4G7889; Indolyl-(3)-pyridyl-(4)-keton; NSC143230; AR-1C3603; indol-3-yl-pyridin-4-yl-methanone;
- DTXSID30301416
- NSC143230
- NSC-143230
- 3189-05-7
- DS-002918
- 1H-indol-3-yl-pyridin-4-yl-methanone
- 3-(pyridine-4-carbonyl)-1H-indole
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- Inchi： 1S/C14H10N2O/c17-14(10-5-7-15-8-6-10)12-9-16-13-4-2-1-3-11(12)13/h1-9,16H
- InChI Key： URMRKJJIVRNPPV-UHFFFAOYSA-N
- SMILES： O=C(C1C=CN=CC=1)C1=CNC2C=CC=CC1=2
Computed Properties
- Exact Mass: 222.0794
- Monoisotopic Mass: 222.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 286
- 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: 2.6
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- Density: 1.283
- Boiling Point: 451°C at 760 mmHg
- Flash Point: 226.3°C
- Refractive Index: 1.692
- PSA: 45.75
- LogP: 2.79390
1h-indol-3-yl(pyridin-4-yl)methanone Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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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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