HCID11344959

5-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

C13H13FN2216.25 g/molCAS 127626-06-6

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IDENTITY

结构与身份

标准SMILES: Fc1ccc2[nH]cc(C3=CCNCC3)c2c1
InChIKey: NOBJPJHWOFGLFA-UHFFFAOYSA-N
分子式: C13H13FN2
平均分子量: 216.25 g/mol
单同位素质量: 216.10627659

COMPUTED

结构计算性质

已同步

XLogP: 1.9
极性表面积: 27.8 Å²
氢键供体: 2
氢键受体: 2
可旋转键: 1
重原子: 16
形式电荷: 0
复杂度: 290

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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

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

ALIASES

名称与别名

共 30 条

127626-06-65-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indoleDTXSID60463016RefChem:535864DTXCID20413835886-273-45-Fluoro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indoleMFCD09833282CHEMBL269065-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)indoleNOBJPJHWOFGLFA-UHFFFAOYSA-N5-fluoro-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-IndoleSCHEMBL2778860BDBM50015712EBC-04186AKOS013165293DB-062598CS-0214991EN300-211881F435212

REACTIONS

参与反应

58 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID49258

uspto-grants-2004_03

作为反应物

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06706736B2

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HRID210639

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID213943

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID304748

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

作为反应物

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

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HRID306019

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

作为反应物

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

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HRID431013

uspto-grants-2003_12

作为反应物

uspto-grants-2003_12 · 10.6084/m9.figshare.5104873.v1 · US06656947B2

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HRID431065

uspto-grants-2003_12

作为反应物

uspto-grants-2003_12 · 10.6084/m9.figshare.5104873.v1 · US06656950B2

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HRID433134

uspto-grants-2003_12

作为反应物

uspto-grants-2003_12 · 10.6084/m9.figshare.5104873.v1 · US06667322B2

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