3,4-Dimethoxy-2-methyl-1-oxo-1lambda~5~-pyridine

HCID 10749647

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 72830-07-0
표준 SMILES: COc1cc[n+]([O-])c(C)c1OC
InChIKey: UMVFRRJTPKYVAY-UHFFFAOYSA-N
분자식: C8H11NO3
평균 분자량: 169.18 g/mol
단동위원소 질량: 169.07389321

이름 및 식별자

우선 이름: 3,4-Dimethoxy-2-methyl-1-oxo-1lambda~5~-pyridine
IUPAC: 3,4-dimethoxy-2-methyl-1-oxidopyridin-1-ium
영어명: 3,4-Dimethoxy-2-methylpyridine N-oxide
분자식: C8H11NO3
분자량: 169.18

이름 및 동의어

72830-07-0DTXSID604442843,4-Dimethoxy-2-methyl-1-oxo-1lambda~5~-pyridineRefChem:271109DTXCID003951053,4-Dimethoxy-2-methylpyridine 1-oxide3,4-DIMETHOXY-2-METHYLPYRIDINE N-OXIDE3,4-dimethoxy-2-methyl-1-oxidopyridin-1-iumMFCD073678673,4-dimethoxy-2-methylpyridin-1-ium-1-olate3,4-DIMETHOXY-2-METHYLPYRIDINE-N-OXIDEPantoprazole Sodium Impurity 12

이름 더 보기

Pantoprazole Impurity 34Pantoprazole Impurity 132-METHYLPYRIDINE-3,4-DIMETHOXY-N-OXIDE3,4-Dimethoxy-2-methyl-1-oxidopyridin-1-3,4-Dimethoxy-2-methylpyridine N-oxide / PANT

Pyridine, 3,4-dimethoxy-2-methyl-, 1-oxide3,4-Dimethoxy-2-mehtylpridine N-oxidePyridine, 3,4-dimethoxy-2-methyl-, 1-oxide; 2-Methyl-3,4-dimethoxypyridine N-oxide; 3,4-Dimethoxy-2-methylpyridine 1-oxide; 3,4-Dimethoxy-2-methylpyridine-N-oxidePyridine,3,4-dimethoxy-2-methyl-, 1-oxide6CAK7AL29PSCHEMBL1003702UMVFRRJTPKYVAY-UHFFFAOYSA-NAKOS006286045

데이터베이스 식별자

CAS: 72830-07-0
PubChem CID: 10749647
DTXSID: DTXSID60444284
UNII: 6CAK7AL29P
Nikkaji: J1.761.828H

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 43.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 142

물리화학적 성질

끓는 점: 333.6 · 333.6±37.0 °C(Predicted)
밀도: 1.11 · 1.11±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 2.8 · 2.80±0.10(Predicted)
InChI: InChI=1S/C8H11NO3/c1-6-8(12-3)7(11-2)4-5-9(6)10/h4-5H,1-3H3
InChIKey: UMVFRRJTPKYVAY-UHFFFAOYSA-N
SMILES: C1(C)[N+]([O-])=CC=C(OC)C=1OC

화학 및 산업

응용 분야 · 1건

용도3,4-Dimethoxy-2-methylpyridine-N-oxide can be used forone pot synthesis of 2-[2-(pyridylmethyl)thio]-1H-benzimidazoles, which are intermediates for preparing H+/K+-ATPase inhibitors. 3,4-Dimethoxy-2-methylpyridine-N-oxide is an impurity of Pantoprazole (P183000).