5-Hydroxynicotinic acid

HCID 34037CAS 27828-71-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)c1cncc(O)c1
InChIKey: ATTDCVLRGFEHEO-UHFFFAOYSA-N
분자식: C6H5NO3
평균 분자량: 139.11 g/mol
단동위원소 질량: 139.02694302

개요

5-Hydroxynicotinic acid is a member of pyridines and an aromatic carboxylic acid.

이름 및 식별자

우선 이름: 5-Hydroxynicotinic acid
IUPAC: 5-hydroxypyridine-3-carboxylic acid
영어명: 5-Hydroxynicotinic acid
분자식: C6H5NO3
분자량: 139.11

이름 및 동의어

5-Hydroxynicotinic acid27828-71-35-Hydroxy-3-pyridinecarboxylic acidDTXSID50182143RefChem:102920DTXCID60104634622-583-65-hydroxypyridine-3-carboxylic acid3-Pyridinecarboxylic acid, 5-hydroxy-5-Hydroxy-nicotinic acidMFCD001291175-hydroxy nicotinic acid

이름 더 보기

AKOS NCG-00225-HydroxynicotinicNicotinic acid-004TIMTEC-BB SBB0102735-Hydroxynicotinic a5-hydroxy-nicotinicaci5-Hydroxy nicotic acidHydroxynicotinicacid 5-5-HydroxynicotinicAcid>

SCHEMBL186161CHEMBL2146902BBL010930BDBM50391823CS-W009148NCGC00342404-01Q274557725-hydroxynicotinicacid

데이터베이스 식별자

CAS: 27828-71-3
PubChem CID: 34037
DTXSID: DTXSID50182143
ChEMBL: CHEMBL2146902
ChEBI: CHEBI:169995
EC Number: 622-583-6
Nikkaji: J28.110G

물성

구조 계산 물성

XLogP: 0
극성 표면적: 70.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 137

물리화학적 성질

녹는점: 299 °C · 299 °C
끓는 점: 519.3 · 519.3±35.0 °C(Predicted)
밀도: 1.485 · 1.485±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 2.08 · 2.08±0.10(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 노란색으로
BRN: 115847 · 115847
InChI: InChI=1S/C6H5NO3/c8-5-1-4(6(9)10)2-7-3-5/h1-3,8H,(H,9,10)
InChIKey: ATTDCVLRGFEHEO-UHFFFAOYSA-N
SMILES: C1=NC=C(O)C=C1C(O)=O

화학적 성질

White to off-white to yellow solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
rtecs: QT1757500
HS 번호: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 등급: IRRITANT
위험 참고 사항: Harmful/Irritant/Keep Cold

화학 및 산업

응용 분야 · 1건

용도5-Hydroxynicotinic acid is a nicotinic acid analog with potential inhibitory effect on the metabolism nicotinic acid by human platelets. Used in the investigation of the hydroxylation mechanism of the flaovoprotein 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase (MHPCO).