1-Hydroxypyrrole-2-carbonitrile
TL;DR: 1-Hydroxypyrrole-2-carbonitrile (CAS 40090-74-2) is a chemical compound with molecular formula C5H4N2O and molecular weight 108.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxypyrrole-2-carbonitrile
Also Known As: 1-hydroxypyrrole-2-carbonitrile, 2-cyano-N-hydroxypyrrole, 1H-Pyrrole-2-carbonitrile, 1-hydroxy-, 1-hydroxy-1H-pyrrole-2-carbonitrile, RefChem:230935
| Molecular Formula | C5H4N2O |
|---|---|
| Molecular Weight | 108.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 49.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 108.032364 |
| Heavy Atoms | 8 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 40090-74-2 |
|---|---|
| SMILES | C1=CN(C(=C1)C#N)O |
| InChIKey | ZKLOEAZWAQWECG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Hydroxypyrrole-2-carbonitrile (CAS 40090-74-2), with molecular formula C5H4N2O and molecular weight 108.03 g/mol. IUPAC: 1-hydroxypyrrole-2-carbonitrile.
Chemical Property Profile of 1-Hydroxypyrrole-2-carbonitrile
Property Insights of 1-Hydroxypyrrole-2-carbonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hydroxypyrrole-2-carbonitrile. With a topological polar surface area (TPSA) of 49.0 Ų, 1-Hydroxypyrrole-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hydroxypyrrole-2-carbonitrile has 1 hydrogen bond donor(s) and 2 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 1-Hydroxypyrrole-2-carbonitrile?
The CAS number of 1-Hydroxypyrrole-2-carbonitrile is 40090-74-2.
What is the molecular formula of 1-Hydroxypyrrole-2-carbonitrile?
The molecular formula of 1-Hydroxypyrrole-2-carbonitrile is C5H4N2O.
What is the molecular weight of 1-Hydroxypyrrole-2-carbonitrile?
The molecular weight of 1-Hydroxypyrrole-2-carbonitrile is 108.03 g/mol.
Where can I buy 1-Hydroxypyrrole-2-carbonitrile?
You can request a quote for 1-Hydroxypyrrole-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroxypyrrole-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxypyrrole-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.