4-アミノ-2,6-ジクロロ-3-ニトロピリジン

2,6-Dichloro-3-nitropyridin-4-amine

HCID 282740

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 2897-43-0
標準SMILES: Nc1cc(Cl)nc(Cl)c1[N+](=O)[O-]
InChIKey: KJVKGYRFRFXCQQ-UHFFFAOYSA-N
分子式: C5H3Cl2N3O2
平均分子量: 208 g/mol
単同位体質量: 206.9602317

名称と識別子

優先名称: 2,6-Dichloro-3-nitropyridin-4-amine
IUPAC: 2,6-dichloro-3-nitropyridin-4-amine
現地名: 4-アミノ-2,6-ジクロロ-3-ニトロピリジン
英語名: 2,6-Dichloro-3-nitro-4-aminopyridine
分子式: C5H3Cl2N3O2
分子量: 208

名称と別名

2,6-dichloro-3-nitropyridin-4-amineDTXSID60300391RefChem:445383DTXCID10251526867-667-52897-43-04-AMINO-2,6-DICHLORO-3-NITROPYRIDINE2,6-DICHLORO-3-NITRO-4-AMINOPYRIDINE4-Pyridinamine, 2,6-dichloro-3-nitro-2,6-dichloro-3-nitro-pyridin-4-ylamineMFCD032657542,6-Dichloro-3-nitro-pyridin-4-amine

名称をさらに表示

4-アミノ-2,6-ジクロロ-3-ニトロピリジン(2,6-dichloro-3-nitro-4-pyridyl)amineNSC 136572PYRIDINE DERIVATIVE2897-43-06-DICHLORO-3-NITRO-4-AMINOPYRIDINE5-Amino-2,6-dichloro-3-nitropyridine

2,6-dichloro-3-nitro-4-pyridinamine2,6-Dichloro-4-amino-5-nitropyridine2,6-dichloro-4-amino-3-nitropyridineNSC1365722,6-dichloro-3-nitropyridin-4-ylamineSCHEMBL260778orb1908108SCHEMBL29462393

データベース識別子

CAS: 2897-43-0
PubChem CID: 282740
DTXSID: DTXSID60300391
EC Number: 867-667-5
Nikkaji: J3.311.549K

物性

構造計算による物性

XLogP: 2.5
極性表面積: 84.7 Å²
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: 12
形式電荷: 0
複雑度: 186

物理化学的性質

融点: 148 · 148-150°C
沸点: 426.6 · 426.6±40.0 °C(Predicted)
比重(密度): 1.723 · 1.723
貯蔵温度: 2 · Keep in dark place,Inert atmosphere,2-8°C
溶解性: soluble in Chloroform, Methanol
酸解離定数(Pka): -3.65 · -3.65±0.50(Predicted)
外見: powder
色: Light yellow to light beige
InChI: InChI=1S/C5H3Cl2N3O2/c6-3-1-2(8)4(10(11)12)5(7)9-3/h1H,(H2,8,9)
InChIKey: KJVKGYRFRFXCQQ-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=CC(N)=C1[N+]([O-])=O

化学的性質

化学的特性Light Yellow to Beige Solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): 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 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

hs_code: 2933399990
risk_code: 22-36
hazard_code: Xn
safety_code: 26

化学と産業

応用分野 · 1 件

使用2,6-DICHLORO-3-NITRO-4-AMINOPYRIDINE is a synthetic compound that inhibits tyrosine kinases. It is an isomer of 2,6-Dichloropyridine and has been shown to inhibit the growth of lymphoma cells in vitro. 2,6-DICHLORO-3-NITRO-4-AMINOPYRIDINE has three substitutions on the pyridine ring as compared to 2,6-Dichloropyridine. The substitutions are thought to be responsible for the increased hydrophilic properties of this compound. This may lead to increased cellular uptake and better bioavailability.