基本情報
- 標準SMILES
Nc1nc(Cl)ccc1[N+](=O)[O-]- InChIKey
WERABQRUGJIMKQ-UHFFFAOYSA-N- 分子式
- C5H4ClN3O2
- 平均分子量
- 173.56 g/mol
- 単同位体質量
- 172.99920405
名称と識別子
- 優先名称
- 6-Chloro-3-nitropyridin-2-ylamine
- IUPAC
- 6-chloro-3-nitropyridin-2-amine
- 現地名
- 6-クロロ-3-ニトロ-2-ピリジンアミン
- 英語名
- 2-Amino-6-chloro-3-nitropyridine
- 分子式
- C5H4ClN3O2
- 分子量
- 173.56
名称と別名
名称をさらに表示
データベース識別子
- CAS
27048-04-0- PubChem CID
- 2724035
- DTXSID
DTXSID40181524- EC Number
- 248-188-5
- Nikkaji
- J308.439F
物性
構造計算による物性
- XLogP
- 1.8
- 極性表面積
- 84.7 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 0
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 160
物理化学的性質
- 融点
- 195 · 195-196
- 沸点
- 339.9 · 339.9±37.0 °C(Predicted)
- 比重(密度)
- 1.596 · 1.596±0.06 g/cm3(Predicted)
- 貯蔵温度
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- 溶解性
- クロロホルム、DMSO
- 外見
- 結晶性
- 酸解離定数(Pka)
- -1.69 · -1.69±0.50(Predicted)
- 色
- 黄色
- 水溶解度
- 水にわずかに溶ける。ジメチルスルホキシド、クロロホルムに可溶。
- InChI
- InChI=1S/C5H4ClN3O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H,(H2,7,8)
- InChIKey
- WERABQRUGJIMKQ-UHFFFAOYSA-N
- SMILES
- C1(N)=NC(Cl)=CC=C1[N+]([O-])=O
- CAS データベース
- 27048 · 27048-04-0(CAS DataBase Reference)
化学的性質
化学的特性YELLOW POWDER
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 5.3% (1 of 19) of reports.
Warning
H302 (21.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 19 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
安全データ
- ridadr
- 2811
- hs_code
- 29333999
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 22-26-36/37/39
- hazard_class
- 6.1
- packing_group
- Ⅲ
化学と産業
応用分野
説明2-Amino-6-chloro-3-nitropyridine is a cytotoxic drug that has been shown to have anti-viral potency, as well as antiviral activity in an activity test. It is synthesized by reacting hydrogen tartrate with oxadiazole, and then hydrolyzing the resulting product with chloride. 2-Amino-6-chloro-3-nitropyridine has also been shown to inhibit human immunodeficiency virus type 1 (HIV) replication in vitro and to be effective against other viruses such as type 2 influenza. This drug can bind to the viral envelope and inhibit fusion of the viral membrane with host cells by preventing the release of viral contents into the cytoplasm. The binding affinity of 2-amino 6-chloro 3 nitropyridine for chloride may be due to hydrogen bonding interactions.
使用It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.
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