5-히드록시-2-메틸피리딘
2-Methyl-5-hydroxypyridine
기본 정보
- CAS
1121-78-4- 표준 SMILES
Cc1ccc(O)cn1- InChIKey
DHLUJPLHLZJUBW-UHFFFAOYSA-N- 분자식
- C6H7NO
- 평균 분자량
- 109.13 g/mol
- 단동위원소 질량
- 109.05276385
개요
2-methyl-5-hydroxypyridine has been reported in Cynoglossum zeylanicum and Panax ginseng with data available.
이름 및 식별자
- 우선 이름
- 2-Methyl-5-hydroxypyridine
- IUPAC
- 6-methylpyridin-3-ol
- 현지명
- 5-히드록시-2-메틸피리딘
- 영어명
- 3-Hydroxy-6-methylpyridine
- 분자식
- C6H7NO
- 분자량
- 109.13
이름 및 동의어
5-Hydroxy-2-methylpyridine1121-78-46-Methylpyridin-3-ol2-Methyl-5-hydroxypyridine3-HYDROXY-6-METHYLPYRIDINE6-Methyl-3-pyridinol3-Pyridinol, 6-methyl-6-Methyl-3-hydroxypyridine5-Hydroxy-2-picoline2-methyl-5-pyridinolDTXSID4051580BRN 0107077
이름 더 보기
5-하이드록시-2-메틸피리딘5-히드록시-2-메틸피리딘6-methyl-3-pyridinoTIMTEC-BB SBB0043492-Methylpyridin-5-ol6-Methyl-3-pyridineol3-HYDOXY-6-METHYLPYRIDINE
DHLUJPLHLZJUBW-UHFFFAOYSA-UKE16JP1JREINECS 214-337-8NSC 27963NSC-279633-PYRIDOL, 6-METHYL-5-21-02-00139 (Beilstein Handbook Reference)DTXCID8030132
데이터베이스 식별자
- CAS
1121-78-4- PubChem CID
- 14275
- DTXSID
DTXSID4051580- ChEMBL
CHEMBL134979- UNII
- UKE16JP1JR
- EC Number
- 214-337-8
- Nikkaji
- J121J
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 33.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 74.9
실험 및 물리화학적 성질
Collision Cross Section119.4 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4051580]
물리화학적 성질
- 녹는점
- 168 · 168-170 °C(lit.)
- 끓는 점
- 204.59 °C · 204.59°C (rough estimate)
- 밀도
- 1.1143 · 1.1143 (rough estimate)
- 굴절률
- 1.504 · 1.5040 (estimate)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 용해도
- 디클로로메탄: 가용성
- 산도 계수 (pKa)
- 9.49 · 9.49±0.10(Predicted)
- 물리적 상태
- 결정성 분말
- 색상
- 베이지~연한 황갈색
- BRN
- 107077 · 107077
- InChI
- InChI=1S/C6H7NO/c1-5-2-3-6(8)4-7-5/h2-4,8H,1H3
- InChIKey
- DHLUJPLHLZJUBW-UHFFFAOYSA-N
- SMILES
- C1=NC(C)=CC=C1O
- LogP
- 0.418 · 0.418 (est)
- NIST
- 3 · 3-Pyridinol, 6-methyl-(1121-78-4)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (88.9%)
안전 데이터
- wgk
- 3
- rtecs
- UU7714900
- 독성
- mouse,LD50,intraperitoneal,846mg/kg (846mg/kg),Toxicon. Vol. 23, Pg. 815, 1985.
- HS 번호
- 29333990
- risk_code
- 22-37/38-41-40-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 26-39-24/25-36-22
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도5-Hydroxy-2-methylpyridine was used as starting reagent for the synthesis of 5-[(4-methoxybenzyl)oxy]-2-pyridinecarbaldehyde. It was used in synthesis of [HNC6H6OH]2[Cu(NC5H5)4(NbOF5)2].It was used as ligand of a platinum complex which showed protein kinase inhibitory action at nanomolar levels. It forms a chiral pyridinium ionic liquid on reaction with L-menthol chloromethyl ether.
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
235건
화합물 노트
불러오는 중…