3-Amino-6-bromopyrazine-2-carboxylic acid

CAS 486424-37-7  ·  C5H4BrN3O2  ·  MW 218.01 g/mol

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3D model 3-Amino-6-bromopyrazine-2-carboxylic acid, CAS 486424-37-7, molecular formula C5H4BrN3O2, molar mass 218.01 g/mol
About 3-Amino-6-bromopyrazine-2-carboxylic acid

3-Amino-6-bromopyrazine-2-carboxylic acid is a chemical compound registered under number CAS 486424-37-7, with the molecular formula C5H4BrN3O2, and a molar mass of 218.01 g/mol.

The molecule contains 15 atoms connected by 15 chemical bonds. The full systematic IUPAC name of this compound is 3-amino-6-bromopyrazine-2-carboxylic acid. 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 = 0.9 (positive value, a lipophilic compound), polar surface area PSA = 89.1 Ų, 2 donors and 5 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 formulaC5H4BrN3O2
Masa molowa218.01 g/mol
IUPAC3-amino-6-bromopyrazine-2-carboxylic acid
SMILESC1=C(N=C(C(=N1)N)C(=O)O)Br
InChIKeyMTNAQEKMSVDTAQ-UHFFFAOYSA-N
logP (XLogP3)0.9
PSA89.1 Ų
HBD / HBA2 / 5
PubChem CIDCID 18521600 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS07
GHS07
Scientific literature

Related literature

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

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

📈 Publication timeline (15 articles)

2011: 1 articles20112016: 1 articles2017: 1 articles20172022: 1 articles2022

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

Synonyms
3-amino-6-bromopyrazine-2-carboxylic acid · 486424-37-7 · 3-amino-6-bromo-2-pyrazinecarboxylic acid · RefChem:497458 · DTXCID00545163 · 802-115-9 · MFCD08275681 · 2-AMINO-5-BROMOPYRAZINE-3-CARBOXYLIC ACID · 3-Amino-6-bromo-pyrazine-2-carboxylic acid · 3-Amino-6-bromopyrazine-2-carboxylicacid · Pyrazinecarboxylic acid, 3-amino-6-bromo- · SCHEMBL410727 · MTNAQEKMSVDTAQ-UHFFFAOYSA-N · SBB065704 · AKOS015854559
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
3-Amino-6-bromopyrazine-2-carboxylic acid — CAS 486424-37-7

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

MolGod License & Provenance Record:
3-Amino-6-bromopyrazine-2-carboxylic acid (CAS 486424-37-7) — License & Provenance

Source:
3-Amino-6-bromopyrazine-2-carboxylic acid (CAS 486424-37-7) — MolGod molecule record

Source data: PubChem CID 18521600

STL: Download 3D model (305 KB)

SHA-256: 7d65cf0cbc19cf003d80d649496dd53d58e43f4d75bb9fe09e5d8e62885eeb18

Wikimedia Commons: not published yet

Source data: PubChem CID 18521600

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