基本情報
- CAS
64951-08-2- 標準SMILES
O=C([O-])c1cn2ccccc2n1- InChIKey
WQLJLPDGSLZYEP-UHFFFAOYSA-M- 分子式
- C8H5N2O2-
- 平均分子量
- 161.14 g/mol
- 単同位体質量
- 161.03510241
名称と識別子
- 優先名称
- Imidazo[1,2-a]pyridine-2-carboxylate
- IUPAC
- imidazo[1,2-a]pyridine-2-carboxylate
- 英語名
- Imidazo[1,2-a]pyridine-2-carboxylic acid
- 分子式
- C8H6N2O2
- 分子量
- 162.15
名称と別名
imidazo[1,2-a]pyridine-2-carboxylateDTXSID90983510WQLJLPDGSLZYEP-UHFFFAOYSA-MMFCD13188642Compound Fr13959AKOS BBS-00006401TIMTEC-BB SBB010195CHEMBRDG-BB 4401038ASINEX-REAG BAS 06100978Minodronic Acid Impurity 252-Carboxyimidazo[1,2-a]pyridineImidazo[1,2-a]pyridine-2-carboxylic acid
名称をさらに表示
H-imidazo[1,2-a]pyridine-2-carboxylic acid
データベース識別子
- CAS
64951-08-2- PubChem CID
- 7018384
- DTXSID
DTXSID90983510
物性
構造計算による物性
- XLogP
- 2.3
- 極性表面積
- 57.4 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 0
- 重原子数
- 12
- 形式電荷
- -1
- 複雑度
- 190
物理化学的性質
- Melting point
- 232 · 232-234℃
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- Powder
- pka
- -4.33 · -4.33±0.41(Predicted)
- color
- White to off-white
- InChI
- 1S/C8H6N2O2/c11-8(12)6-5-10-4-2-1-3-7(10)9-6/h1-5H,(H,11,12)
- InChIKey
- WQLJLPDGSLZYEP-UHFFFAOYSA-N
- SMILES
- OC(=O)c1cn2ccccc2n1
- CAS DataBase Reference
- 64951 · 64951-08-2(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-36-22
- Safety Statements
- 26 · 26-36/37/39-22
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29332900 · 29332900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
安全と法規制
安全データ
- wgk
- 3
- hs_code
- 29332900
- risk_code
- 36/37/38-36-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-22
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
化学と産業
応用分野
UsesImidazo[1,2-a]pyridine-2-carboxylic acid is an important 2-carboxylic acid derivative of the imidazo[1,2-a]pyridine fused heterocycle. It is primarily used as a key synthetic intermediate. Its carboxylic acid and carboxylate forms can be derivatised via reactive ester coupling, reduction and other methods, and are used to construct Mur ligase inhibitors for antimicrobial applications, as well as drug molecules such as the anti-anxiety agents saripidem and necopidem [5].
上流・下流製品情報
上流原料
下流製品
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