6-(ヒドロキシメチル)ピコリン酸メチル

Methyl 6-(hydroxymethyl)picolinate

HCID 11513809

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基本情報

CAS: 39977-44-1
標準SMILES: COC(=O)c1cccc(CO)n1
InChIKey: DVIUNMLAPDJWHL-UHFFFAOYSA-N
分子式: C8H9NO3
平均分子量: 167.16 g/mol
単同位体質量: 167.05824315

名称と識別子

優先名称: Methyl 6-(hydroxymethyl)picolinate
IUPAC: methyl 6-(hydroxymethyl)pyridine-2-carboxylate
現地名: 6-(ヒドロキシメチル)ピコリン酸メチル
英語名: Methyl-6-hydroxymethyl-2-carboxylate pyridine
分子式: C8H9NO3
分子量: 167.16

名称と別名

39977-44-1methyl 6-(hydroxymethyl)picolinateDTXSID80467819RefChem:157714DTXCID70418638809-354-8Methyl 6-(hydroxymethyl)pyridine-2-carboxylateMethyl-6-hydroxymethyl-2-carboxylate pyridineMethyl 6-(hydroxymethyl)-2-pyridinecarboxylateMFCD03840850Methyl 6-hydroxymethyl-2-pyridine carboxylic acid6-HYDROXYMETHYL-PYRIDINE-2-CARBOXYLIC ACID METHYL ESTER

名称をさらに表示

6-(ヒドロキシメチル)ピコリン酸メチルMethyl 6-(hydroxymethyl)Methyl-6-hydroxymethyl-2-carboxylate6-(hydroxymethyl)-2-pyridinecarboxylateMETHYL-6-HYDROXYMETHYL-2-PYRIDINE-CARBOXYLATE2-hydroxymethylpyridine-6-carboxylic acid methyl ester

SCHEMBL1839782-(Hydroxymethyl)-6-methoxycarbonylpyridinemethyl 6-hydroxymethylpyridine-2-carboxylateEN300-128737AMY303236-(hydroxymethyl)-2-pyridinecarboxylic acid methyl ester2-PYRIDINECARBOXYLIC ACID, 6-(HYDROXYMETHYL)-, METHYL ESTERA824831

データベース識別子

CAS: 39977-44-1
PubChem CID: 11513809
DTXSID: DTXSID80467819
EC Number: 809-354-8
Nikkaji: J2.536.171G

物性

構造計算による物性

XLogP: 0.2
極性表面積: 59.4 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 12
形式電荷: 0
複雑度: 160

物理化学的性質

融点: 178 °C · 178 °C
沸点: 327.3 · 327.3±32.0 °C(Predicted)
比重(密度): 1.244 · 1.244
貯蔵温度: Inert atmosphere,Room Temperature
酸解離定数(Pka): 13.03 · 13.03±0.10(Predicted)
外見: 個体
色: 白い
InChI: InChI=1S/C8H9NO3/c1-12-8(11)7-4-2-3-6(5-10)9-7/h2-4,10H,5H2,1H3
InChIKey: DVIUNMLAPDJWHL-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC(CO)=CC=C1

化学的性質

化学的特性White or off-white solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

hs_code: 2933399990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26

化学と産業

応用分野 · 1 件

使用Methyl 6-(Hydroxymethyl)-2-pyridinecarboxylate is a chemical compound used in the synthesis of Losartan (L470500) derivatives as AT1 antagonists in the preparation of antihypertensive agents. Also used to prepare telomerase inhibitors for in vivo inhibitory activity.