3-ヒドロキシピコリンアミド

3-Hydroxypicolinamide

HCID 70277

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 933-90-4
標準SMILES: NC(=O)c1ncccc1O
InChIKey: VIHUZJYFQOEUMI-UHFFFAOYSA-N
分子式: C6H6N2O2
平均分子量: 138.12 g/mol
単同位体質量: 138.04292744

名称と識別子

優先名称: 3-Hydroxypicolinamide
IUPAC: 3-hydroxypyridine-2-carboxamide
現地名: 3-ヒドロキシピコリンアミド
英語名: 3-Hydroxypicolinamide
分子式: C6H6N2O2
分子量: 138.12

名称と別名

3-Hydroxypicolinamide933-90-43-Hydroxy-2-pyridinecarboxamideVK3YNW4R82DTXSID00239378RefChem:502351DTXCID20161869213-274-33-Hydroxypyridine-2-carboxamide3-Hydroxy-pyridine-2-carboxylic acid amideMFCD000063022-Pyridinecarboxamide, 3-hydroxy-

名称をさらに表示

3-ヒドロキシピコリンアミド3-ヒドロキシピリジン-2-カルボアミド3-ヒドロキシ-2-ピリジンカルボアミド3-ヒドロキシピリジン-2-カルボオキサミド3-ヒドロキシピリジン-2-カルボキサミドHydroxypicolinamide3-Hydroxypicolineamide3-Hydroxypicolinamide>3-HYDROXYPICOLINAMIDE 98%3-Hydroxypicolinamide,98+%2-Pyridinecarboxamide,3-hydroxy-(9CI)

EINECS 213-274-33-hydroxy picolinic amideUNII-VK3YNW4R823-Hydroxypicolinamide, 98%SCHEMBL324348SCHEMBL324349SCHEMBL9819698SCHEMBL10002474

データベース識別子

CAS: 933-90-4
PubChem CID: 70277
DTXSID: DTXSID00239378
ChEBI: CHEBI:169984
UNII: VK3YNW4R82
EC Number: 213-274-3
Nikkaji: J298.520I

物性

構造計算による物性

XLogP: 0.7
極性表面積: 76.2 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 138

物理化学的性質

融点: 193 · 193-197 °C (lit.)
沸点: 479.3 · 479.3±30.0 °C(Predicted)
比重(密度): 1.384 · 1.384±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Storage temp. 2-8°C
酸解離定数(Pka): 15.26 · 15.26±0.50(Predicted)
外見: powder to crystal
色: White to Almost white
InChI: 1S/C6H6N2O2/c7-6(10)5-4(9)2-1-3-8-5/h1-3,9H,(H2,7,10)
InChIKey: VIHUZJYFQOEUMI-UHFFFAOYSA-N
SMILES: NC(=O)c1ncccc1O
CAS データベース: 933 · 933-90-4(CAS DataBase Reference)

化学的性質

化学的特性grey-beige to light brown powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): 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)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.