2-HYDROXY-5-NITRO-3-(트리플루오로메틸)피리딘

2-Hydroxy-5-nitro-3-(trifluoromethyl)pyridine

HCID 2775095

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 99368-66-8
표준 SMILES: O=c1[nH]cc([N+](=O)[O-])cc1C(F)(F)F
InChIKey: BHUILUYFGJBXHQ-UHFFFAOYSA-N
분자식: C6H3F3N2O3
평균 분자량: 208.09 g/mol
단동위원소 질량: 208.00957662

개요

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이름 및 식별자

우선 이름: 2-Hydroxy-5-nitro-3-(trifluoromethyl)pyridine
IUPAC: 5-nitro-3-(trifluoromethyl)-1H-pyridin-2-one
현지명: 2-HYDROXY-5-NITRO-3-(트리플루오로메틸)피리딘
영어명: 2-HYDROXY-5-NITRO-3-(TRIFLUOROMETHYL)PYRIDINE
분자식: C6H3F3N2O3
분자량: 208.09

이름 및 동의어

2-HYDROXY-5-NITRO-3-(TRIFLUOROMETHYL)PYRIDINEDTXSID10379375RefChem:1063387DTXCID1033040199368-66-85-nitro-3-(trifluoromethyl)pyridin-2-ol5-Nitro-3-(trifluoromethyl)pyridin-2(1H)-one2(1H)-Pyridinone, 5-nitro-3-(trifluoromethyl)-MFCD002769835-nitro-3-(trifluoromethyl)-1H-pyridin-2-one5-nitro-3-(trifluoromethyl)-2(1H)-Pyridinone2-Hydroxy-5-nitro-3-trifluoromethylpyridine

이름 더 보기

2-HYDROXY-5-NITRO-3-(트리플루오로메틸)피리딘Apatamide impurity 392-Hydroxy-5-nitro-3-(trifL5-NITRO-3-(TRIFLUOROMETHYL-2-PYRIDONE)5-Nitro-3-(trifluoromethyl)pyridin-2-one5-Nitro-3-trifluoroMethyl-1H-pyridin-2-one5-nitro-3-trifluoromethyl-2-hydroxypyridine2-Hydroxy-3-trifluoromethyl-5-nitropyridine5-aMino-3-(trifluoroMethyl)pyridin-2(1H)-one

U6Z9KRP9UBSCHEMBL909616SCHEMBL1278657SCHEMBL14959667SCHEMBL31053163CS-M3575RB1055SBB055699

데이터베이스 식별자

CAS: 99368-66-8
PubChem CID: 2775095
DTXSID: DTXSID10379375
UNII: U6Z9KRP9UB

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 74.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 0
무거운 원자 수: 14
형식 전하: 0
복잡도: 350

물리화학적 성질

녹는점: 158 °C · 158°C
끓는 점: 255.2 · 255.2±40.0 °C(Predicted)
밀도: 1.61 · 1.61±0.1 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 5.71 · 5.71±0.10(Predicted)
물리적 상태: 고체
색상: 노란색
InChI: InChI=1S/C6H3F3N2O3/c7-6(8,9)4-1-3(11(13)14)2-10-5(4)12/h1-2H,(H,10,12)
InChIKey: BHUILUYFGJBXHQ-UHFFFAOYSA-N
SMILES: C1(=O)NC=C([N+]([O-])=O)C=C1C(F)(F)F
LogP: 0.41 at · 0.41 at 25℃

안전 및 규제

안전 데이터

HS 번호: 2933399990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
위험 참고 사항: Irritant

화학 및 산업

응용 분야

용도2-Hydroxy-5-nitro-3-(trifluoromethyl)pyridine is a class of aromatic heterocyclic compounds that can be used as intermediates for Apalutamide, which is an androgen receptor inhibitor used in the treatment of prostate cancer.