5-(2-PHENYLETH-1-YNYL)니코티닉산

5-(2-Phenyleth-1-Ynyl)Nicotinic Acid

HCID 2779236CAS 175203-69-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)c1cncc(C#Cc2ccccc2)c1
InChIKey: DXJZBANECHYHRT-UHFFFAOYSA-N
분자식: C14H9NO2
평균 분자량: 223.23 g/mol
단동위원소 질량: 223.06332853

이름 및 식별자

우선 이름: 5-(2-Phenyleth-1-Ynyl)Nicotinic Acid
IUPAC: 5-(2-phenylethynyl)pyridine-3-carboxylic acid
현지명: 5-(2-PHENYLETH-1-YNYL)니코티닉산
영어명: 5-(2-PHENYLETH-1-YNYL)NICOTINIC ACID
분자식: C14H9NO2
분자량: 223.23

이름 및 동의어

175203-69-75-(2-Phenyleth-1-Ynyl)Nicotinic Acid5-(Phenylethynyl)nicotinic acid5-(2-phenylethynyl)pyridine-3-carboxylic acid5-(Phenylethynyl)pyridine-3-carboxylic acidMFCD001740553-Pyridinecarboxylic acid, 5-(2-phenylethynyl)-CHEMBL13246125-(Phenyleth-1-ynyl)nicotinic acidMaybridge1_004925TIMTEC-BB SBB0054323-Pyridinecarboxylicacid, 5-(2-phenylethynyl)-

이름 더 보기

5-(2-PHENYLETH-1-YNYL)니코티닉산BUTTPARK 46\04-545-(2-phenyl-1-ynyl)nicotinic acid

KVD5-phenylethynyl-pyridine-3-carboxylic acid5-phenylethynylnicotinic acidOprea1_156576MLS001182047SCHEMBL8344255-Phenylethynyl-nicotinic acidorb3030785

데이터베이스 식별자

CAS: 175203-69-7
PubChem CID: 2779236
DTXSID: DTXSID70381338
ChEMBL: CHEMBL1324612
EC Number: 672-962-5

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 50.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 333

실험 및 물리화학적 성질

Solubility>33.5 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 245 °C · 245 °C
저장 조건: 2 · Storage temp. 2-8°C

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.