反应SMILES:COc1ccc2ncc(F)c(Br)c2n1
HCID45480320

8-Bromo-7-fluoro-2-methoxy-1,5-naphthyridine

C9H6BrFN2O257.06 g/molCAS 724788-70-9

IDENTITY

结构与身份

标准SMILES
COc1ccc2ncc(F)c(Br)c2n1
InChIKey
KBDDFKYRMCBPOT-UHFFFAOYSA-N
分子式
C9H6BrFN2O
平均分子量
257.06 g/mol
单同位素质量
255.96475

COMPUTED

结构计算性质

已同步
XLogP
2.3
极性表面积
35 Ų
氢键供体
0
氢键受体
4
可旋转键
1
重原子
14
形式电荷
0
复杂度
207

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal];H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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%);Acute Tox. 4 (100%);Acute Tox. 4 (100%)

ALIASES

名称与别名

共 20 条
8-bromo-7-fluoro-2-methoxy-1,5-naphthyridine724788-70-9DTXSID60670304RefChem:311855DTXCID60621053807-228-7MFCD09027615SCHEMBL592407SCHEMBL29692870KBDDFKYRMCBPOT-UHFFFAOYSA-NAKOS016001870SY258982DB-074569CS-00892164-Bromo-3-fluoro-6-methoxy-[1,5]naphthyridine4-Bromo-3-fluoro-6-methoxy-[1.5]naphthyridine8-bromo-7-fluoro-2-methoxy-[1,5]naphthyridine8-Bromo-7-fluoro-2-(methoxy)-1,5-naphthyridineF2216098-bromo-7-fluoro-2-(methyloxy)-1,5-naphthyridine

REACTIONS

参与反应

32
HRID103047

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

作为反应物
HRID 103047 方程式

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

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HRID187300

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

作为反应物
HRID 187300 方程式

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

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HRID288341

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

作为反应物
HRID 288341 方程式

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

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HRID527947

uspto-grants-2016_05

作为反应物
HRID 527947 方程式

uspto-grants-2016_05 · 10.6084/m9.figshare.5104873.v1 · US09346804B2

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HRID638987

uspto-grants-2010_04

作为反应物
HRID 638987 方程式

uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07691850B2

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HRID656867

uspto-grants-2011_12

作为反应物
HRID 656867 方程式

uspto-grants-2011_12 · 10.6084/m9.figshare.5104873.v1 · US08071592B2

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HRID656875

uspto-grants-2011_12

作为反应物
HRID 656875 方程式

uspto-grants-2011_12 · 10.6084/m9.figshare.5104873.v1 · US08071592B2

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HRID734232

uspto-grants-2009_09

作为反应物
HRID 734232 方程式

uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07592334B2

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