[2,3'-Bipyridine]-6'-carboxylic acid

CAS 845827-00-1 · C₁₁H₈N₂O₂ · MW 200.19 g/mol

关于 [2,3'-Bipyridine]-6'-carboxylic acid

[2,3'-Bipyridine]-6'-carboxylic acid 是一种化学品，登记号为 CAS 845827-00-1，分子式为 C₁₁H₈N₂O₂，摩尔质量为 200.19 g/mol。

该分子包含 23 个原子，通过 24 个化学键连接。该化合物的完整系统 IUPAC 名称为 5-pyridin-2-ylpyridine-2-carboxylic acid。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 = 1.3 (正值，亲脂性化合物)，极性表面积 PSA = 63.1 Å²，1 个氢键供体和 4 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	C₁₁H₈N₂O₂
Masa molowa	200.19 g/mol
IUPAC	5-pyridin-2-ylpyridine-2-carboxylic acid
SMILES	`C1=CC=NC(=C1)C2=CN=C(C=C2)C(=O)O`
InChIKey	`AXJKHMPAWFRPAR-UHFFFAOYSA-N`
logP (XLogP3)	1.3
PSA	63.1 Å²
HBD / HBA	1 / 4
PubChem CID	CID 57358853 ↗

科学文献

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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

[2,3'-Bipyridine]-6'-carboxylic acid · 845827-00-1 · MFCD17017882 · 5-pyridin-2-ylpyridine-2-carboxylic acid · [2,3'-Bipyridine]-6'-carboxylicacid · [2,3-Bipyridine]-6-carboxylicacid(9CI) · SCHEMBL1946422 · AXJKHMPAWFRPAR-UHFFFAOYSA-N · 2,3'-Bipyridine-6'-carboxylic acid · 2,3'-bipyridine]-6'-carboxylic acid · AKOS012989579 · 5-(2-pyridyl)pyridine-2-carboxylic acid · TS-02836 · CS-0155854 · D97477

数据来源

📊 PubChem CID 57358853 — NIH
🔬 NIST WebBook — spektroskopia
💊 ChEMBL — bioaktywność