Cas no 845266-26-4 (5-(2-phenylethynyl)nicotinonitrile)
5-(2-Phenylethynyl)nicotinonitrile is a versatile organic compound featuring a nicotinonitrile core substituted with a phenylethynyl group at the 5-position. This structure imparts unique electronic and steric properties, making it valuable in pharmaceutical and materials research. The compound serves as a key intermediate in the synthesis of heterocyclic frameworks, particularly in the development of kinase inhibitors and other bioactive molecules. Its rigid, conjugated system enhances binding affinity in medicinal chemistry applications, while the nitrile group offers functionalization potential for further derivatization. The compound exhibits good stability under standard conditions, facilitating handling and storage. Its well-defined reactivity profile makes it a reliable building block for complex molecular architectures.
845266-26-4 structure
Product Name:5-(2-phenylethynyl)nicotinonitrile
CAS No:845266-26-4
MF:C14H8N2
MW:204.226722717285
MDL:MFCD01763953
CID:716319
PubChem ID:2822390
Update Time:2025-05-27
5-(2-phenylethynyl)nicotinonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarbonitrile,5-(2-phenylethynyl)-
- 5-(2-PHENYLETHYNYL)NICOTINONITRILE
- 5-(2-phenylethynyl)pyridine-3-carbonitrile
- 5-phenylethynylnicotinonitrile
- FT-0692637
- SLUQJZCMAPASFJ-UHFFFAOYSA-N
- 5-(Phenylethynyl)nicotinonitrile
- MFCD01763953
- SCHEMBL1477360
- SR-01000632630-1
- DTXSID80384916
- MLS001182059
- Maybridge1_004883
- MS-22125
- SMR000567759
- HMS2864I14
- HMS555F21
- J-516137
- CCG-42650
- 5-(2-phenylethynyl)-3-pyridinecarbonitrile
- CHEMBL1325979
- BDBM93892
- 845266-26-4
- cid_2822390
- DB-076053
- 5-(2-phenylethynyl)nicotinonitrile
-
- MDL： MFCD01763953
- Inchi： 1S/C14H8N2/c15-9-14-8-13(10-16-11-14)7-6-12-4-2-1-3-5-12/h1-5,8,10-11H
- InChI Key： SLUQJZCMAPASFJ-UHFFFAOYSA-N
- SMILES： N1C=C(C#N)C=C(C#CC2C=CC=CC=2)C=1
Computed Properties
- Exact Mass: 204.06900
- Monoisotopic Mass: 204.068748264g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 332
- 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: 36.7?2
Experimental Properties
- PSA: 36.68000
- LogP: 2.35308
5-(2-phenylethynyl)nicotinonitrile Customs Data
- HS CODE：2933399090
- Customs Data：
China Customs Code:
2933399090Overview:
2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
5-(2-phenylethynyl)nicotinonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B521968-10mg |
5-(2-phenylethynyl)nicotinonitrile |
845266-26-4 | 10mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B521968-50mg |
5-(2-phenylethynyl)nicotinonitrile |
845266-26-4 | 50mg |
$ 65.00 | 2022-06-07 | ||
| TRC | B521968-100mg |
5-(2-phenylethynyl)nicotinonitrile |
845266-26-4 | 100mg |
$ 95.00 | 2022-06-07 | ||
| abcr | AB225377-1 g |
5-(2-Phenylethynyl)nicotinonitrile; 95% |
845266-26-4 | 1 g |
€60.20 | 2023-07-20 | ||
| abcr | AB225377-1g |
5-(2-Phenylethynyl)nicotinonitrile; 95% |
845266-26-4 | 1g |
€60.20 | 2023-09-13 | ||
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1650604-1g |
5-(Phenylethynyl)nicotinonitrile |
845266-26-4 | 98% | 1g |
￥754.00 | 2024-07-28 |
5-(2-phenylethynyl)nicotinonitrile Related Literature
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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