4-CHLORO-1-ETHYL-1H-PYRAZOLO[3,4-B]피리딘-5-카르복실산에틸에스테르

ethyl 4-chloro-1-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

HCID 10491120

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 30720-25-3
표준 SMILES: CCOC(=O)c1cnc2c(cnn2CC)c1Cl
InChIKey: RCQMGWFLFNPCJC-UHFFFAOYSA-N
분자식: C11H12ClN3O2
평균 분자량: 253.68 g/mol
단동위원소 질량: 253.0618043

이름 및 식별자

우선 이름: ethyl 4-chloro-1-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
IUPAC: ethyl 4-chloro-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylate
현지명: 4-CHLORO-1-ETHYL-1H-PYRAZOLO[3,4-B]피리딘-5-카르복실산에틸에스테르
영어명: 4-Chloro-1-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester
분자식: C11H12ClN3O2
분자량: 253.68

이름 및 동의어

30720-25-3ethyl 4-chloro-1-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylateDTXSID10440817ethyl 4-chloro-1-ethyl-1H-pyrazolo(3,4-b)pyridine-5-carboxylateRefChem:343880DTXCID70391639971-412-4ethyl 4-chloro-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylateMFCD066567524-CHLORO-1-ETHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLIC ACID ETHYL ESTEREthyl-4-chloro-1-ethyl-1H-pyrazole [3,4]pyridine-5-carboxylateEthyl 4-chloro-1-ethyl-pyrazolo[3,4-b]pyridine-5-carboxylate

이름 더 보기

4-CHLORO-1-ETHYL-1H-PYRAZOLO[3,4-B]피리딘-5-카르복실산에틸에스테르Ethyl 4-chloro-1-ethyl-pyrazopyridine-5-carboxy-late1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 4-chloro-1-ethyl-, ethyl ester

SCHEMBL582528RCQMGWFLFNPCJC-UHFFFAOYSA-NAKOS015961694PB14444AC-14638AS-37783SY098782CS-0049469

데이터베이스 식별자

CAS: 30720-25-3
PubChem CID: 10491120
DTXSID: DTXSID10440817
EC Number: 971-412-4

물성

구조 계산 물성

XLogP: 2
극성 표면적: 57 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 290

물리화학적 성질

끓는 점: 348.5 · 348.5±37.0 °C(Predicted)
밀도: 1.37 · 1.37±0.1 g/cm3(Predicted)
저장 조건: 0 · Store at 0-8 °C
산도 계수 (pKa): 1.43 · 1.43±0.30(Predicted)

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.