5-Hydrazinyl-2-methoxypyridine

HCID 22217853

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 160664-95-9
標準SMILES: COc1ccc(NN)cn1
InChIKey: SRQWKLIXHJRVSG-UHFFFAOYSA-N
分子式: C6H9N3O
平均分子量: 139.16 g/mol
単同位体質量: 139.07456192

名称と識別子

優先名称: 5-Hydrazinyl-2-methoxypyridine
IUPAC: (6-methoxy-3-pyridinyl)hydrazine
英語名: 5-Hydrazino-2-methoxypyridine
分子式: C6H9N3O
分子量: 139.16

名称と別名

160664-95-95-HYDRAZINYL-2-METHOXYPYRIDINEDTXSID00623475RefChem:303331DTXCID305742295-HYDRAZINO-2-METHOXYPYRIDINE(6-METHOXY-PYRIDIN-3-YL)-HYDRAZINE(6-methoxypyridin-3-yl)hydrazine(6-methoxy-3-pyridyl)hydrazinePYRIDINE, 5-HYDRAZINYL-2-METHOXY-MFCD09263636Pyridine, 5-hydrazino-2-methoxy-

名称をさらに表示

5-Hydrazine-2-methoxypyridinePyridine,5-hydrazino-2-methoxy5-hydrazinyl-2-Methoxy-PyridinePyridine,5-hydrazinyl-2-methoxy-(6-methoxy-3-pyridinyl)hydrazinePyridine, 5-hydrazino-2-methoxy- (9CI)

SCHEMBL14911475-hydrazinyl-2-methoxy pyridineSCHEMBL31252505SRQWKLIXHJRVSG-UHFFFAOYSA-NAKOS006331804AB50207AS-76240DB-049970

データベース識別子

CAS: 160664-95-9
PubChem CID: 22217853
DTXSID: DTXSID00623475
Nikkaji: J2.800.930E

物性

構造計算による物性

XLogP: 1
極性表面積: 60.2 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 10
形式電荷: 0
複雑度: 99

物理化学的性質

融点: 64 °C · 64 °C
沸点: 284 ℃ · 284℃
比重(密度): 1.228 · 1.228
闪点: 125 ℃ · 125℃
貯蔵温度: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
酸解離定数(Pka): 4.6 · 4.60±0.24(Predicted)
InChI: InChI=1S/C6H9N3O/c1-10-6-3-2-5(9-7)4-8-6/h2-4,9H,7H2,1H3
InChIKey: SRQWKLIXHJRVSG-UHFFFAOYSA-N
SMILES: C1(OC)=NC=C(NN)C=C1

安全と法規制

安全データ

hs_code: 2933399990

化学と産業

応用分野

使用5-Hydrazine-2-methoxypyridine is used as a pyridine derivative, it is used for structural modification and derivatization of pyridine-containing drug molecules and biologically active molecules.