2-(3-Fluorophenyl)-4-methylpyrimidine-5-carboxylic acid

HCID 61702587

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1nc(-c2cccc(F)c2)ncc1C(=O)O
InChIKey: LZMNSJCIRQSESL-UHFFFAOYSA-N
분자식: C12H9FN2O2
평균 분자량: 232.21 g/mol

이름 및 식별자

우선 이름: 2-(3-Fluorophenyl)-4-methylpyrimidine-5-carboxylic acid
IUPAC: 2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxylic acid

이름 및 동의어

933989-07-22-(3-fluorophenyl)-4-methylpyrimidine-5-carboxylic acidSCHEMBL3213900LZMNSJCIRQSESL-UHFFFAOYSA-NAKOS0109704852-(3-fluoro-phenyl)-4-methyl-pyrimidine-5-carboxylic acid2-(3-fluoro-phenyl) -4-methyl-pyrimidine-5-carboxylic acid

데이터베이스 식별자

PubChem CID: 61702587

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 63.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 288

관련 반응

67건

반응 기록 만들기

HRID 95983반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 101135반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 105411생성물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 109940반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 117817반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 137093반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 185925반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 189759반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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