6-메틸-2-피리딘카르복실산
6-메틸-2-피리딘카르복실산 · 6-METHYLPICOLINIC ACID · 6-METHYLPYRIDINE-2-CARBOXYLIC ACID · 6-METHYL-2-PICOLINIC ACID · NSC 26023 · NSC 109143 · IFLAB-BB F1790-0068 · RARECHEM AL BO 1402
식별자 및 물리적 특성
| CAS No. | 934-60-1 |
|---|---|
| 분자식 | C7H7NO2 |
| 평균 분자량 | 137.14 g/mol |
| 단동위원소 질량 | 137.04767846 g/mol |
| SMILES | Cc1cccc(C(=O)O)n1 |
| InChIKey | LTUUGSGSUZRPRV-UHFFFAOYSA-N |
| PubChem CID | 70282 |
| ChEMBL | CHEMBL1650458 |
| EC No. | 213-287-4 |
| DTXSID | DTXSID20239416 |
| 현지명 | 6-메틸-2-피리딘카르복실산 |
화학 및 물리적 성질
| XLogP | 1.1 |
|---|---|
| 극성 표면적 | 50.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 136 |
| LogP(분배 계수) | -1.22 |
| 녹는점 | 130 °C |
| 끓는 점 | 100°C/4.5mm |
| 밀도 | 1.230±0.06 g/cm3(Predicted) |
| 인화점 | 100°C/4.5mm |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 용해도 | 물에 용해됨 |
| 물리적 상태 | powder to crystal |
| pKa(산도 계수) | pK1:5.83 (25°C) |
| 색상 | 흰색에서 거의 흰색 |
| InChI | InChI=1S/C7H7NO2/c1-5-3-2-4-6(8-5)7(9)10/h2-4H,1H3,(H,9,10) |
| InChIKey | LTUUGSGSUZRPRV-UHFFFAOYSA-N |
| SMILES | C1(C(O)=O)=NC(C)=CC=C1 |
| NIST | 6-Methyl picolinic acid(934-60-1) |
화학적 성질
White to beige powder
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29333990 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36/37/39-36 |
| 위험 등급 | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Pharmacological activity studied in regard to: Interactions of carrier ligands of antidiabetic metal complexes with human serum albuminAbility to chelate metalloenzyme inhibitorsInteractions of insulin-mimetic zinc(II) complexes with cell constituentsReactant for: Synthesis of inhibitors of human 11β -hydroxysteroid dehydrogenase type 1Lewis base organocatalysts for stereoselective hydrosilylation reactionsBiological studies of insulin-enhancing complexes
일반 설명
6-Methylpyridine-2-carboxylic acid (2-carboxy-6-methylpyridine, 6-methylpicolinic acid) is a heterocyclic building block.