2-(Isopropyl)isonicotinonitrile
TL;DR: 2-(Isopropyl)isonicotinonitrile (CAS 33538-10-2) is a chemical compound with molecular formula C9H10N2 and molecular weight 146.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-ylpyridine-4-carbonitrile
Also Known As: 2-isopropylisonicotinonitrile, 2-(Isopropyl)isonicotinonitrile, 4-cyano-2-isopropylpyridine, 2-propan-2-ylpyridine-4-carbonitrile, 2-Isopropylpyridine-4-carbonitrile
| Molecular Formula | C9H10N2 |
|---|---|
| Molecular Weight | 146.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 146.0844 |
| Heavy Atoms | 11 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 33538-10-2 |
|---|---|
| SMILES | CC(C)C1=NC=CC(=C1)C#N |
| InChIKey | HSDPZZMLYGAUFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Isopropyl)isonicotinonitrile (CAS 33538-10-2), with molecular formula C9H10N2 and molecular weight 146.08 g/mol. IUPAC: 2-propan-2-ylpyridine-4-carbonitrile.
Chemical Property Profile of 2-(Isopropyl)isonicotinonitrile
Property Insights of 2-(Isopropyl)isonicotinonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Isopropyl)isonicotinonitrile. With a topological polar surface area (TPSA) of 36.7 Ų, 2-(Isopropyl)isonicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Isopropyl)isonicotinonitrile has 0 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 2-(Isopropyl)isonicotinonitrile?
The CAS number of 2-(Isopropyl)isonicotinonitrile is 33538-10-2.
What is the molecular formula of 2-(Isopropyl)isonicotinonitrile?
The molecular formula of 2-(Isopropyl)isonicotinonitrile is C9H10N2.
What is the molecular weight of 2-(Isopropyl)isonicotinonitrile?
The molecular weight of 2-(Isopropyl)isonicotinonitrile is 146.08 g/mol.
Where can I buy 2-(Isopropyl)isonicotinonitrile?
You can request a quote for 2-(Isopropyl)isonicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Isopropyl)isonicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Isopropyl)isonicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.