CAS 866319-00-8 5-Fluoro-1H-pyrrolo[2,3-b]pyridine (HCID 20784462)

기본 정보

CAS: 866319-00-8
표준 SMILES: Fc1cnc2[nH]ccc2c1
InChIKey: BALBNSFYMXBWNM-UHFFFAOYSA-N
분자식: C7H5FN2
평균 분자량: 136.13 g/mol
단동위원소 질량: 136.04367633

이름 및 식별자

우선 이름: 5-Fluoro-1H-pyrrolo[2,3-b]pyridine
IUPAC: 5-fluoro-1H-pyrrolo[2,3-b]pyridine
현지명: 5-FLUORO-1H-피롤로[2,3-B]피리딘
영어명: 5-FLUORO-1H-PYRROLO[2,3-B]PYRIDINE
분자식: C7H5FN2
분자량: 136.13

이름 및 동의어

5-Fluoro-1H-pyrrolo[2,3-b]pyridine866319-00-8DTXSID106097805-Fluoro-1H-pyrrolo(2,3-b)pyridineRefChem:303102DTXCID40560537800-024-95-Fluoro-7-azaindoleMFCD066596781H-PYRROLO[2,3-B]PYRIDINE, 5-FLUORO-CS-B0496AKOS005063475

이름 더 보기

5-FLUORO-1H-피롤로[2,3-B]피리딘SW-10SWF-10EOS-605875-Fluor-1H-pyrrolo[2,3-b]pyridin5-Fluoro-1H-pyrrolo[2,3-b]pyridin5-Fluoro-1H-pyrrolo[2,4-b]pyridine5-Fluoro-7-azaindole (5-Fluoro-1H-pyrrolo[2,3-b]pyridine)

PB12380SY009141EN300-123951Z1198169606PWD5-Floro-7-azaindoleAM20070198FT-0646623

데이터베이스 식별자

CAS: 866319-00-8
PubChem CID: 20784462
DTXSID: DTXSID10609780
ChEMBL: CHEMBL4532450
EC Number: 800-024-9

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 28.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 129

물리화학적 성질

녹는점: 112 · 112-113°C
밀도: 1.35 · 1.35
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 가루
산도 계수 (pKa): 13.04 · 13.04±0.40(Predicted)
색상: 베이지에서 브라운까지
InChI: 1S/C7H5FN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-4H,(H,9,10)
InChIKey: BALBNSFYMXBWNM-UHFFFAOYSA-N
SMILES: Fc1cnc2[nH]ccc2c1

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Eye Dam. 1 (97.6%)

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 22-41
hazard_code: Xi,Xn
safety_code: 26-39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도5-Fluoro-1H-pyrrolo[2,3-B]pyridine is an important pharmaceutical intermediate. This type of derivative exists in alkaloids such as ASP3627, Mappicine, and Vemurafenib, and can be used as LRRK2 inhibitors, MPS1 inhibitors, JAK1 inhibitors, Met kinase inhibitors, etc.