反应SMILES:Clc1ccc(OC2CCNCC2)nc1
HCID11264329

5-Chloro-2-(piperidin-4-yloxy)pyridine

5-chloro-2-piperidin-4-yloxypyridine

C10H13ClN2O212.67 g/molCAS 260441-44-9

IDENTITY

结构与身份

标准SMILES
Clc1ccc(OC2CCNCC2)nc1
InChIKey
AMZYBOJPLHNYJD-UHFFFAOYSA-N
分子式
C10H13ClN2O
平均分子量
212.67 g/mol
单同位素质量
212.0716407

COMPUTED

结构计算性质

已同步
XLogP
1.9
极性表面积
34.2 Ų
氢键供体
1
氢键受体
3
可旋转键
2
重原子
14
形式电荷
0
复杂度
174

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Acute Tox. 4 (100%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (100%)

ALIASES

名称与别名

共 27 条
5-Chloro-2-(piperidin-4-yloxy)pyridine260441-44-9DTXSID60460500RefChem:302353DTXCID00411319818-579-05-CHLORO-2-(PIPERIDIN-4-YLOXY)-PYRIDINEMFCD041149735-chloro-2-piperidin-4-yloxypyridinePyridine, 5-chloro-2-(4-piperidinyloxy)-2-(PIPERIDIN-4-YL-OXY)-5-CHLOROPYRIDINE5-chloro-2-(4-piperidyloxy)pyridineSCHEMBL943237SCHEMBL4677168TQP0374AMZYBOJPLHNYJD-UHFFFAOYSA-NKKA44144AKOS0116270322-(4-piperidinyloxy)-5-chloropyridine4-(5-chloropyridin-2-yloxy)piperidine

REACTIONS

参与反应

15
HRID32379

uspto-grants-2008_09

作为反应物
HRID 32379 方程式

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07427631B2

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HRID32393

uspto-grants-2008_09

作为反应物
HRID 32393 方程式

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07427631B2

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HRID119096

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 119096 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID293433

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 293433 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID609685

uspto-grants-1999_12

作为反应物
HRID 609685 方程式

uspto-grants-1999_12 · 10.6084/m9.figshare.5104873.v1 · US05998412

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HRID843003

uspto-grants-2002_04

作为反应物
HRID 843003 方程式

uspto-grants-2002_04 · 10.6084/m9.figshare.5104873.v1 · US06376506B1

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HRID932424

Validation data from https://doi.org/10.1039/C8SC04228D

作为反应物
HRID 932424 方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID1392150

uspto-grants-2008_03

作为反应物
HRID 1392150 方程式

uspto-grants-2008_03 · 10.6084/m9.figshare.5104873.v1 · US07342020B2

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