6-Nitroquinoline

CAS 613-50-3  ·  C9H6N2O2  ·  MW 174.16 g/mol

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3D model 6-Nitroquinoline, CAS 613-50-3, molecular formula C9H6N2O2, molar mass 174.16 g/mol
About 6-Nitroquinoline

6-Nitroquinoline is a chemical compound registered under number CAS 613-50-3, with the molecular formula C9H6N2O2, and a molar mass of 174.16 g/mol.

The molecule contains 19 atoms connected by 20 chemical bonds. The full systematic IUPAC name of this compound is 6-nitroquinoline. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 1.8 (positive value, a lipophilic compound), polar surface area PSA = 58.7 Ų, 0 donors and 3 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC9H6N2O2
Masa molowa174.16 g/mol
IUPAC6-nitroquinoline
SMILESC1=CC2=C(C=CC(=C2)[N+](=O)[O-])N=C1
InChIKeySMHPLBXIVNQFBA-UHFFFAOYSA-N
logP (XLogP3)1.8
PSA58.7 Ų
HBD / HBA0 / 3
PubChem CIDCID 11945 ↗
GHS safety

Signal word: Warning

GHS07
GHS07
GHS08
GHS08

H302 — Działa szkodliwie po połknięciu

H312 — Działa szkodliwie w kontakcie ze skórą

H332 — Działa szkodliwie w następstwie wdychania

H351 — Podejrzewa się, że powoduje raka

Scientific literature

Related literature

1 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
6-Nitroquinoline · QUINOLINE, 6-NITRO- · CCRIS 456 · NSC 4141 · EINECS 210-346-6 · BRN 0136138 · AI3-08863 · UNII-7033583N3J · NSC-4141 · NITROQUINOLINE, 6- · DTXCID70984 · 7033583N3J · 5-20-07-00326 (Beilstein Handbook Reference) · Quinoline, 6nitro · RefChem:105096
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
6-Nitroquinoline — CAS 613-50-3

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
6-Nitroquinoline (CAS 613-50-3) — License & Provenance

Source:
6-Nitroquinoline (CAS 613-50-3) — MolGod molecule record

Source data: PubChem CID 11945

STL: Download 3D model (391 KB)

SHA-256: 6c9c9096d7e1065f891261f17ab6e240fd04d571881c252c836a89859513f5ef

Wikimedia Commons: not published yet

Source data: PubChem CID 11945

This licence applies to the MolGod-created STL mesh, not automatically to third-party source material.