3-히드록시-4-메톡시피리딘-2-카르복실산

3-Hydroxy-4-methoxypyridine-2-carboxylic acid

HCID 11041121CAS 210300-09-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccnc(C(=O)O)c1O
InChIKey: OBHHCPRYWZKEIM-UHFFFAOYSA-N
분자식: C7H7NO4
평균 분자량: 169.13 g/mol
단동위원소 질량: 169.0375077

이름 및 식별자

우선 이름: 3-Hydroxy-4-methoxypyridine-2-carboxylic acid
IUPAC: 3-hydroxy-4-methoxypyridine-2-carboxylic acid
현지명: 3-히드록시-4-메톡시피리딘-2-카르복실산
영어명: 3-Hydroxy-4-Methoxypyridine-2-carboxylic acid
분자식: C7H7NO4
분자량: 169.13

이름 및 동의어

3-Hydroxy-4-methoxypyridine-2-carboxylic acidDTXSID90452938RefChem:502435DTXCID80403757815-418-6210300-09-73-hydroxy-4-methoxypicolinic acid2-Pyridinecarboxylic acid, 3-hydroxy-4-methoxy-MFCD182542723-Hydroxy-4-methoxy-2-pyridinecarboxylic acid3-hydroxy-4-methoxy-pyridine-2-carboxylic AcidSCHEMBL753212

이름 더 보기

3-히드록시-4-메톡시피리딘-2-카르복실산3-Hydroxy-4-Methoxpyridine-2-Carboxylic Acid4-Methoxy-3-Hydroxy-pyridine -2-carboxylic acid

3-hydroxy-4-methoxypicolinicacidOBHHCPRYWZKEIM-UHFFFAOYSA-N3-hydroxy-4-methoxy picolinic acidKIA30009XH1410AKOS022711756CS-13200SY212542

데이터베이스 식별자

CAS: 210300-09-7
PubChem CID: 11041121
DTXSID: DTXSID90452938
EC Number: 815-418-6、953-797-0
Nikkaji: J959.721B

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 79.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 173

물리화학적 성질

끓는 점: 445.7 · 445.7±45.0 °C(Predicted)
밀도: 1.437 · 1.437±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 1.27 · 1.27±0.50(Predicted)
InChI: InChI=1S/C7H7NO4/c1-12-4-2-3-8-5(6(4)9)7(10)11/h2-3,9H,1H3,(H,10,11)
InChIKey: OBHHCPRYWZKEIM-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=NC=CC(OC)=C1O

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 18 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]