Cas no 125117-98-8 (5-isocyanatopyridine-2-carbonitrile)
125117-98-8 structure
Product Name:5-isocyanatopyridine-2-carbonitrile
CAS No:125117-98-8
MF:C7H3N3O
MW:145.118220567703
MDL:MFCD18816437
CID:896754
PubChem ID:20066442
Update Time:2025-11-07
5-isocyanatopyridine-2-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinecarbonitrile,5-isocyanato-(9CI)
- 5-isocyanatopyridine-2-carbonitrile
-
- MDL： MFCD18816437
- Inchi： 1S/C7H3N3O/c8-3-6-1-2-7(4-9-6)10-5-11/h1-2,4H
- InChI Key： IPFBPXVGHDEQNF-UHFFFAOYSA-N
- SMILES： O=C=NC1=CN=C(C#N)C=C1
Computed Properties
- Exact Mass: 145.02769
- Monoisotopic Mass: 145.028
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 223
- 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
- Topological Polar Surface Area: 66.1A^2
- XLogP3: 1.7
Experimental Properties
- PSA: 66.11
5-isocyanatopyridine-2-carbonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-245066-0.05g |
5-isocyanatopyridine-2-carbonitrile |
125117-98-8 | 95% | 0.05g |
$315.0 | 2024-06-19 | |
| Enamine | EN300-245066-0.1g |
5-isocyanatopyridine-2-carbonitrile |
125117-98-8 | 95% | 0.1g |
$470.0 | 2024-06-19 | |
| Enamine | EN300-245066-0.25g |
5-isocyanatopyridine-2-carbonitrile |
125117-98-8 | 95% | 0.25g |
$672.0 | 2024-06-19 | |
| Enamine | EN300-245066-0.5g |
5-isocyanatopyridine-2-carbonitrile |
125117-98-8 | 95% | 0.5g |
$1058.0 | 2024-06-19 | |
| Enamine | EN300-245066-1.0g |
5-isocyanatopyridine-2-carbonitrile |
125117-98-8 | 95% | 1.0g |
$1357.0 | 2024-06-19 | |
| Enamine | EN300-245066-2.5g |
5-isocyanatopyridine-2-carbonitrile |
125117-98-8 | 95% | 2.5g |
$2660.0 | 2024-06-19 | |
| Enamine | EN300-245066-5.0g |
5-isocyanatopyridine-2-carbonitrile |
125117-98-8 | 95% | 5.0g |
$3935.0 | 2024-06-19 | |
| Enamine | EN300-245066-10.0g |
5-isocyanatopyridine-2-carbonitrile |
125117-98-8 | 95% | 10.0g |
$5837.0 | 2024-06-19 | |
| Enamine | EN300-245066-1g |
5-isocyanatopyridine-2-carbonitrile |
125117-98-8 | 92% | 1g |
$1357.0 | 2023-09-15 | |
| Enamine | EN300-245066-5g |
5-isocyanatopyridine-2-carbonitrile |
125117-98-8 | 92% | 5g |
$3935.0 | 2023-09-15 |
5-isocyanatopyridine-2-carbonitrile Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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