CAS 221675-35-0 Ethyl 1H-pyrrolo(2,3-b)pyridine-2-carboxylate (HCID 21868741)

기본 정보

CAS: 221675-35-0
표준 SMILES: CCOC(=O)c1cc2cccnc2[nH]1
InChIKey: CBIVEMGUNRNUEB-UHFFFAOYSA-N
분자식: C10H10N2O2
평균 분자량: 190.2 g/mol
단동위원소 질량: 190.07422756

이름 및 식별자

우선 이름: Ethyl 1H-pyrrolo(2,3-b)pyridine-2-carboxylate
IUPAC: ethyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate
현지명: 1H-피롤로[2,3-b]피리딘-2-카르복실산,에틸에스테르
영어명: 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, ethyl ester
분자식: C10H10N2O2
분자량: 190.2

이름 및 동의어

ethyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate221675-35-0DTXSID90619125Ethyl 1H-pyrrolo(2,3-b)pyridine-2-carboxylateRefChem:342121DTXCID50569879695-349-4MFCD099987151H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, ethyl esterethyl 7-azaindole-2-carboxylateethyl pyrrolo[2,3-b]pyridine-2-carboxylate1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid ethyl ester

이름 더 보기

1H-피롤로[2,3-b]피리딘-2-카르복실산,에틸에스테르ethyl 1H-pyrrolo[2ethyl1H-pyrrolo[2,3-b]pyridine-2-carbo2-(Ethoxycarbonyl)-1H-pyrrolo[2,3-b]pyridineethyl 1H-pyrrolo[2,3-b]pyridine-2-carbo×ylateethyl lH-pyrrolo[2,3- b]pyridine-2-carboxylate1H-Prrolo[2,3-b]pyridine-2-carboxylic acid ethyl ester1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, ethyl ester (9CI, ACI)

SCHEMBL832252CBIVEMGUNRNUEB-UHFFFAOYSA-NCS-B1286SBB069684SC3721AKOS006220434FS-2974SB12673

데이터베이스 식별자

CAS: 221675-35-0
PubChem CID: 21868741
DTXSID: DTXSID90619125
EC Number: 695-349-4

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 55 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 220

물리화학적 성질

끓는 점: 436.4 · 436.4±37.0 °C(Predicted)
밀도: 1.27 · 1.27±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 5.73 · 5.73±0.40(Predicted)
InChI: InChI=1S/C10H10N2O2/c1-2-14-10(13)8-6-7-4-3-5-11-9(7)12-8/h3-6H,2H2,1H3,(H,11,12)
InChIKey: CBIVEMGUNRNUEB-UHFFFAOYSA-N
SMILES: C12NC(C(OCC)=O)=CC1=CC=CN=2

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.