5-브로모-피라졸로[1,5-A]피리딘-3-카복실산에틸에스테르

Ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate

HCID 53249841

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 885276-93-7
표준 SMILES: CCOC(=O)c1cnn2ccc(Br)cc12
InChIKey: LJKZKCQPVABNLG-UHFFFAOYSA-N
분자식: C10H9BrN2O2
평균 분자량: 269.09 g/mol
단동위원소 질량: 267.98473963

이름 및 식별자

우선 이름: Ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate
IUPAC: ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate
현지명: 5-브로모-피라졸로[1,5-A]피리딘-3-카복실산에틸에스테르
영어명: 5-Bromo-pyrazolo[1,5-a]pyridine-3-carboxylic acid ethyl ester
분자식: C10H9BrN2O2
분자량: 269.09

이름 및 동의어

ETHYL 5-BROMOPYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLATEDTXSID90693081Ethyl 5-bromopyrazolo(1,5-a)pyridine-3-carboxylateRefChem:595729DTXCID00643830892-168-4885276-93-75-BROMO-PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTERMFCD06739182SCHEMBL3074755Ethyl5-bromopyrazolo[1,5-a]pyridine-3-carboxylateAMY23626

이름 더 보기

5-브로모-피라졸로[1,5-A]피리딘-3-카복실산에틸에스테르Ethyl 5-broMopyrazolo[1,5...Ethyl 5-bromopyrazolo1,5-apyridin-3-carboxylateethyl 5-broMoH-pyrazolo[1,5-a]pyridine-3-carboxylate5-Bromo-pyrazolo[1,5-a]pyridine-3-carboxylate ethyl ester5-Bromopyrazolo[1,5-a]pyridin-3-carboxylic acid ethyl ester5-bromo-3-pyrazolo[1,5-a]pyridinecarboxylic acid ethyl ester5-BroMo-1H-pyrazolo[1,5-a]pyridin-3-carboxylic acid ethyl esterPyrazolo[1,5-a]pyridine-3-carboxylicacid, 5-bromo-, ethyl es...Pyrazolo[1,5-a]pyridine-3-carboxylic acid, 5-broMo-, ethyl ester

CS-B1060Pyrazolo[1,5-a]pyridine-3-carboxylicacid, 5-bromo-, ethyl esterAKOS015998966PB21960DS-18508SY097009DB-077693EN300-234964

데이터베이스 식별자

CAS: 885276-93-7
PubChem CID: 53249841
DTXSID: DTXSID90693081
EC Number: 892-168-4

물성

구조 계산 물성

XLogP: 2
극성 표면적: 43.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 250

물리화학적 성질

밀도: 1.6 · 1.60±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): -0.16 · -0.16±0.30(Predicted)
InChI: InChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-6-12-13-4-3-7(11)5-9(8)13/h3-6H,2H2,1H3
InChIKey: LJKZKCQPVABNLG-UHFFFAOYSA-N
SMILES: C12=C(C(OCC)=O)C=NN1C=CC(Br)=C2

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.