1H-피롤로[2,3-B]피리딘-5-카르복실산메틸에스테르

methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate

HCID 22832049

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 849067-96-5
표준 SMILES: COC(=O)c1cnc2[nH]ccc2c1
InChIKey: HUOFVBYYMPMLBQ-UHFFFAOYSA-N
분자식: C9H8N2O2
평균 분자량: 176.17 g/mol
단동위원소 질량: 176.0585775

이름 및 식별자

우선 이름: methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate
IUPAC: methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate
현지명: 1H-피롤로[2,3-B]피리딘-5-카르복실산메틸에스테르
영어명: 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid methyl ester
분자식: C9H8N2O2
분자량: 176.17

이름 및 동의어

849067-96-5methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid methyl esterMethyl 7-azaindole-5-carboxylate1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, methyl esterMFCD084577851H-Pyrrolo[2,3-b]pyridine-5-carboxylic acidmethyl ester1H-pyrrolo[2,3-b]pyridin-5-carboxylic acid methyl esterMethyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylateA1-048347-Azaindole-5-carboxylic acid methyl estermethyl1H-pyrrolo[2,3

이름 더 보기

1H-피롤로[2,3-B]피리딘-5-카르복실산메틸에스테르Methyl 7-azaindole-5-carb...Mehyl-7-azaindole-5-carboxylateMethyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate 95%1H-PYRROLO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID METHYLH-Pyrrolo[2,3-b]pyridine-5-carboxylicacidMethylester1H-PYRAZOLO[2,3-B]PYRIDINE-5-CARBOXYLIC METHYL ESTER

A841006SCHEMBL4159941H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid methylesterDTXSID20628563Methyl-7-azaindole-5-carboxylateHUOFVBYYMPMLBQ-UHFFFAOYSA-NCS-D0708AKOS006290461

데이터베이스 식별자

CAS: 849067-96-5
PubChem CID: 22832049
DTXSID: DTXSID20628563
EC Number: 879-616-4

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 55 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 208

물리화학적 성질

밀도: 1.32 · 1.32
저장 조건: Sealed in dry,Room Temperature
물리적 상태: solid
산도 계수 (pKa): 12.97 · 12.97±0.40(Predicted)
InChI: 1S/C9H8N2O2/c1-13-9(12)7-4-6-2-3-10-8(6)11-5-7/h2-5H,1H3,(H,10,11)
InChIKey: HUOFVBYYMPMLBQ-UHFFFAOYSA-N
SMILES: COC(=O)c1cnc2[nH]ccc2c1

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 2933399990
hazard_code: Xi
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate is used as a pharmaceutical intermediate. The product can be used in the preparation of PGDH inhibitors or pyrrolo[2,3-b]pyrimidinamine as a complement inhibitor.