기본 정보
- CAS
64951-08-2- 표준 SMILES
O=C([O-])c1cn2ccccc2n1- InChIKey
WQLJLPDGSLZYEP-UHFFFAOYSA-M- 분자식
- C8H5N2O2-
- 평균 분자량
- 161.14 g/mol
- 단동위원소 질량
- 161.03510241
이름 및 식별자
- 우선 이름
- Imidazo[1,2-a]pyridine-2-carboxylate
- IUPAC
- imidazo[1,2-a]pyridine-2-carboxylate
- 영어명
- Imidazo[1,2-a]pyridine-2-carboxylic acid
- 분자식
- C8H6N2O2
- 분자량
- 162.15
이름 및 동의어
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
이름 더 보기
H-imidazo[1,2-a]pyridine-2-carboxylic acid
데이터베이스 식별자
- CAS
64951-08-2- PubChem CID
- 7018384
- DTXSID
DTXSID90983510
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 57.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 12
- 형식 전하
- -1
- 복잡도
- 190
물리화학적 성질
- 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
안전 및 규제
안전 데이터
- 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
화학 및 산업
응용 분야
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].
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