1,8-Naphthyridine

HCID 136069CAS 254-60-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: c1cnc2ncccc2c1
InChIKey: FLBAYUMRQUHISI-UHFFFAOYSA-N
분자식: C8H6N2
평균 분자량: 130.15 g/mol
단동위원소 질량: 130.05309819

개요

1,8-naphthyridine is a naphthyridine in which the nitrogens are situated at positions 1 and 8.

이름 및 식별자

우선 이름: 1,8-Naphthyridine
IUPAC: 1,8-naphthyridine
영어명: 1,8-Naphthyridine
분자식: C8H6N2
분자량: 130.15

이름 및 동의어

1,8-Naphthyridine254-60-41,8-Diazanaphthalene1,8-PyridopyridineUNII-043R04VL4MDTXSID40180052043R04VL4MCHEBI:36628RefChem:73774DTXCID50102543675-799-8FLBAYUMRQUHISI-UHFFFAOYSA-N

이름 더 보기

1, 8 - nalidixic1,8-Naphthyridine>1,8-DIAZANAPHTHALENE1,8-NAPHTHYRIDINE 98+%1,8-Diazanaphthalene 98%1,8-Naphthyridine(6CI,7CI,8CI,9CI)

InChI=1/C8H6N2/c1-3-7-4-2-6-10-8(7)9-5-1/h1-6naphthyridine1,8-Diazanapthalene[1,8]NaphthyridinenapyMFCD00059751Pyrido[2,3-b]pyridineSCHEMBL8193

데이터베이스 식별자

CAS: 254-60-4
PubChem CID: 136069
DTXSID: DTXSID40180052
ChEMBL: CHEMBL261758
ChEBI: CHEBI:36628
UNII: 043R04VL4M
EC Number: 675-799-8
Nikkaji: J100.392E

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 102

실험 및 물리화학적 성질

SpringerMaterials PropertiesCrystal structure

물리화학적 성질

녹는점: 99.8 · 99.8-99.9°C
끓는 점: 248.9 · 248.9±13.0 °C(Predicted)
밀도: 1.183 · 1.183±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 3.39 · 3.39
물리적 상태: powder to crystal
색상: White to Light yellow to Light orange
InChI: InChI=1S/C8H6N2/c1-3-7-4-2-6-10-8(7)9-5-1/h1-6H
InChIKey: FLBAYUMRQUHISI-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CN=2)C=CC=1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

안전 데이터

wgk: WGK 3
HS 번호: 2902900000
hazard_code: Xi
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요1,8-Naphthyridine is an organic compound with the formula C8H6N2. It is the most well-studied of the six isomeric naphthyridines, a subset of diazanaphthalenes with nitrogen in the separate rings. Enoxacin, nalidixic acid, and trovafloxacin are 1,8-naphthyridine derivatives with antibacterial properties related to the fluoroquinolones.

용도1,8-naphthyridine (napy) and its simplest 2-methyl and 2,7-dimethyl derivatives may act as monodentate and bidentate ligands, resembling the behavior of the carboxylate ligands.