4-Hydroxy-2(1H)-pyridinone

CAS 626-03-9 · C₅H₅NO₂ · MW 111.10 g/mol

关于 4-Hydroxy-2(1H)-pyridinone

4-Hydroxy-2(1H)-pyridinone 是一种化学品，登记号为 CAS 626-03-9，分子式为 C₅H₅NO₂，摩尔质量为 111.10 g/mol。

该分子包含 13 个原子，通过 13 个化学键连接。该化合物的完整系统 IUPAC 名称为 4-hydroxy-1H-pyridin-2-one。上方的交互式 3D 模型可查看原子的空间排列——您可以用鼠标旋转、用滚轮缩放，并在骨架 / 球棍 (Ball & Stick) / 空间填充 (Space Fill) 显示模式之间切换。

在理化性质方面，分配系数 logP = -0.4 (负值，亲水性化合物)，极性表面积 PSA = 49.3 Å²，2 个氢键供体和 2 个氢键受体。这些参数对于评估生物利用度以及与生物分子的相互作用至关重要。

该化合物的化学数据来自 PubChem（NIH NLM NCBI），全球最大的化学数据库之一。所有信息均自动更新，并附有符合 CLP 法规（EC 1272/2008）的 GHS 危险说明翻译。上方的小部件可用于教育、研究和商业用途。

理化性质

Molecular formula	C₅H₅NO₂
Masa molowa	111.10 g/mol
IUPAC	4-hydroxy-1H-pyridin-2-one
SMILES	`C1=CNC(=O)C=C1O`
InChIKey	`ZEZJPIDPVXJEME-UHFFFAOYSA-N`
logP (XLogP3)	-0.4
PSA	49.3 Å²
HBD / HBA	2 / 2
PubChem CID	CID 54696004 ↗

GHS 安全

Signal word: Warning

GHS07

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

科学文献

Related literature

5 articles · 2 open access · Sources: PubMed, OpenAlex, Semantic Scholar

📈 Publication timeline (5 articles)

Bar height = number of articles per year. Hover dla szczegółów.

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Convenient and Practical Synthesis of 5-Chloro-4-hydroxy-2(1H)-pyridinone

Shin-go Yano, Tomoyasu Ohno, Kazuo Ogawa (1993) · HETEROCYCLES

Cytowania: 7Open AccessDOI ↗PDF ↗

SPECIFIC SEQUESTERING AGENTS FOR THE ACTINIDES. 9. SYNTHESIS OF METAL COMPLEXES OF 1-HYDROXY-2(1H)-PYRIDINONE AND THE CRYSTAL STRUCTURE OF TETRAKIS (l-HYDROXY-2 (1H) -PYRIDINONE) AQUOTHORIUM(IV) DIHYDRATE

(2012)

Cytowania: 16$ Paywall

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Functionalization of Rhodamine Platforms with 3-Hydroxy-4-pyridinone Chelating Units and Its Fluorescence Behavior towards Fe(III)

Carla Queirós, Sílvia Vinhas, Jéssica Oliveira et al. (2022) · Molecules

AI Summary
A new dihydrorosamine containing two active amino groups is reported, which was functionalized with 3-benzyloxy-1-(3′-carboxypropyl)-2-methyl-4-pyridinone through an amide coupling strategy, making it an interesting fluorogenic dye for future optical sensing applications.

Cytowania: 2Open AccessDOI ↗PubMed ↗PDF ↗

Synthesis, physico-chemical and iron(III)-chelating properties of novel hexadentate 3-hydroxy-2(1H)pyridinone ligands

Bijaya L Rai, Hicham Khodr, Robert C Hider (1999) · Tetrahedron

Cytowania: 32$ PaywallDOI ↗

Estimation of ground and excited-state dipole moments of synthesized coumarin derivative, (S)-(1-((7-hydroxy-2-oxo-2H-chromen-4-yl)methyl)-1H-1,2,3-triazol-4-yl)methyl 2-(((9H-fluoren-9-yl)methoxy)cabonylamino)-3-phenylpropanoate from a solvatochromic shift and theoretical methods

S. Joshi, S. Kumari, Rituparna Bhattacharjee et al. (2015)

Cytowania: 6$ PaywallDOI ↗

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

同义词

2,4-DIHYDROXYPYRIDINE · 626-03-9 · 2(1H)-Pyridinone, 4-hydroxy- · 4-Hydroxy-2(1H)-pyridinone · 2(1H)-Pyridone, 4-hydroxy- · NSC-37839 · NSC-119859 · RefChem:443658 · DTXCID90196623 · pyridine-2,4-diol · 4-Hydroxypyridin-2(1H)-one · 84719-31-3 · 2,4-Pyridinediol · 3-Deazauracil · 4-Hydroxy-2-pyridone

数据来源

📊 PubChem CID 54696004 — NIH
🔬 NIST WebBook — spektroskopia
🌐 Wikidata
💊 ChEMBL — bioaktywność