5-Cyclopropyl-6-cyclopropylmethoxy-pyridine-2-carboxylic acid

HCID 71087346

기본 정보

표준 SMILES: O=C(O)c1ccc(C2CC2)c(OCC2CC2)n1
InChIKey: JPKWMNNAPKYWNH-UHFFFAOYSA-N
분자식: C13H15NO3
평균 분자량: 233.26 g/mol

이름 및 식별자

우선 이름: 5-Cyclopropyl-6-cyclopropylmethoxy-pyridine-2-carboxylic acid
IUPAC: 5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid

이름 및 동의어

5-Cyclopropyl-6-cyclopropylmethoxy-pyridine-2-carboxylic acid1415898-71-35-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxylic acidSCHEMBL14151801JPKWMNNAPKYWNH-UHFFFAOYSA-NA1-103785-cyclopropyl-6-cyclopropylmethyloxy-pyridine-2-carboxylic acid

데이터베이스 식별자

PubChem CID: 71087346

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 59.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 17
형식 전하: 0
복잡도: 299

관련 반응

215건

반응 기록 만들기

HRID 98908반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 99461반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 101023반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 105070반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 120529반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 126473반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 137072반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 145068반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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