CAS 1772-01-6|CAS 849833-60-9|Pyridine-2-carboxamidoxime|(Z)-N'-hydroxypyridine-2-carboximidamide|(Z)-N'-hydroxypyridine-2-carboximidamide|N'-Hydroxypyridine-2-carboxamidine|Pyridine-2-amidoxime|N'-...

基本信息

化学结构

分子式

C₆H₇N₃O

分子量

137.13928

精确质量

137.05891186

电荷

InChI

InChI=1S/C6H7N3O/c7-6(9-10)5-3-1-2-4-8-5/h1-4,10H,(H2,7,9)

InChIKey

XKXCGXSHUNVFCT-UHFFFAOYSA-N

Canonic Smiles

O/N=C(/c1ccccn1)\N

Isomeric Smiles

c1(ccccn1)/C(=N/O)/N

计算属性

JChem

Acid pKa

10.276196

质子受体

质子供体

LogD (pH = 5.5)

0.05783068

LogD (pH = 7.4)

0.05802423

Log P

0.058710463

摩尔折射率

36.5513

极化性

13.832594

极化表面积

71.5

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

别名

Pyridine-2-carboxamidoximeN'-Hydroxypyridine-2-carboxamidinePyridine-2-amidoximeN'-hydroxypyridine-2-carboximidamidePyridine-2-carboxamide oximeN'-Hydroxypyridine-2-carboximidamide2-吡啶基偕胺肟2-吡啶基氨肟N-Hydroxypyridine-2-carboxamidine2-Pyridylamidoxime2-Pyridylamidoxime吡啶-2-碳氨肟Pyridine-2-carboxamidoxime

IUPAC传统名

(Z)-N'-hydroxypyridine-2-carboximidamide N'-hydroxypyridine-2-carboximidamide

IUPAC标准名

(Z)-N'-hydroxypyridine-2-carboximidamide N'-hydroxypyridine-2-carboximidamide

名称和标识

数据登录号

MDL号

MFCD00085159

CAS号

1772-01-6849833-60-9

PubChem SID

24878634162059084