N-(2-Chloro-4-methyl-3-pyridyl)acetamide

CAS 76006-00-3 · C₈H₉ClN₂O · MW 184.62 g/mol

关于 N-(2-Chloro-4-methyl-3-pyridyl)acetamide

N-(2-Chloro-4-methyl-3-pyridyl)acetamide 是一种化学品，登记号为 CAS 76006-00-3，分子式为 C₈H₉ClN₂O，摩尔质量为 184.62 g/mol。

该分子包含 21 个原子，通过 21 个化学键连接。该化合物的完整系统 IUPAC 名称为 N-(2-chloro-4-methyl-3-pyridinyl)acetamide。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 = 1.4 (正值，亲脂性化合物)，极性表面积 PSA = 42 Å²，1 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	C₈H₉ClN₂O
Masa molowa	184.62 g/mol
IUPAC	N-(2-chloro-4-methyl-3-pyridinyl)acetamide
SMILES	`CC1=C(C(=NC=C1)Cl)NC(=O)C`
InChIKey	`WTWZWZSQZSBUAD-UHFFFAOYSA-N`
logP (XLogP3)	1.4
PSA	42 Å²
HBD / HBA	1 / 2
PubChem CID	CID 12668480 ↗

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

N-(2-Chloro-4-methyl-3-pyridyl)acetamide · 76006-00-3 · N-(2-chloro-4-methylpyridin-3-yl)acetamide · MFCD21244018 · Acetamide, N-(2-chloro-4-methyl-3-pyridinyl)- · N-(2-Chloro-4-methyl-3-pyridinyl)acetamide · N-(2-Chloro-4-methyl-pyridin-3-yl)-acetamide · AC6770 · AKOS014828349 · SB54044 · CS-12090 · DA-41416 · SY037248 · CS-0455564 · F775914

数据来源

📊 PubChem CID 12668480 — NIH
🔬 NIST WebBook — spektroskopia
💊 ChEMBL — bioaktywność