4,5-dibromo-1H-pyrrole-2-carbonitrile
TL;DR: 4,5-dibromo-1H-pyrrole-2-carbonitrile (CAS 34649-19-9) is a chemical compound with molecular formula C5H2Br2N2 and molecular weight 247.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dibromo-1H-pyrrole-2-carbonitrile
Also Known As: 4,5-dibromo-1H-pyrrole-2-carbonitrile, 2-cyano-4,5-dibromopyrrole, 4,5-dibromo-2-cyanopyrrole, DIBROMOPYRROLE-2-NITRILE (AN), 1H-Pyrrole-2-carbonitrile, 4,5-dibromo-
| Molecular Formula | C5H2Br2N2 |
|---|---|
| Molecular Weight | 247.86 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 247.85847 |
| Heavy Atoms | 9 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 34649-19-9 |
|---|---|
| SMILES | C1=C(NC(=C1Br)Br)C#N |
| InChIKey | VNVJCGBSMPWVIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-dibromo-1H-pyrrole-2-carbonitrile (CAS 34649-19-9), with molecular formula C5H2Br2N2 and molecular weight 247.86 g/mol. IUPAC: 4,5-dibromo-1H-pyrrole-2-carbonitrile.
Chemical Property Profile of 4,5-dibromo-1H-pyrrole-2-carbonitrile
Property Insights of 4,5-dibromo-1H-pyrrole-2-carbonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-dibromo-1H-pyrrole-2-carbonitrile. With a topological polar surface area (TPSA) of 39.6 Ų, 4,5-dibromo-1H-pyrrole-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-dibromo-1H-pyrrole-2-carbonitrile has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,5-dibromo-1H-pyrrole-2-carbonitrile?
The CAS number of 4,5-dibromo-1H-pyrrole-2-carbonitrile is 34649-19-9.
What is the molecular formula of 4,5-dibromo-1H-pyrrole-2-carbonitrile?
The molecular formula of 4,5-dibromo-1H-pyrrole-2-carbonitrile is C5H2Br2N2.
What is the molecular weight of 4,5-dibromo-1H-pyrrole-2-carbonitrile?
The molecular weight of 4,5-dibromo-1H-pyrrole-2-carbonitrile is 247.86 g/mol.
Where can I buy 4,5-dibromo-1H-pyrrole-2-carbonitrile?
You can request a quote for 4,5-dibromo-1H-pyrrole-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-dibromo-1H-pyrrole-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,5-dibromo-1H-pyrrole-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.