5-Chloropyrimidine-2-carbonitrile
TL;DR: 5-Chloropyrimidine-2-carbonitrile (CAS 38550-46-8) is a chemical compound with molecular formula C5H2ClN3 and molecular weight 138.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloropyrimidine-2-carbonitrile
Also Known As: 5-chloropyrimidine-2-carbonitrile, 2-Cyano-5-chloropyrimidine, 2-Pyrimidinecarbonitrile, 5-chloro- (9CI), 2-Pyrimidinecarbonitrile,5-chloro-, 5-Chloropyrimidine-2-carbonitrile?
| Molecular Formula | C5H2ClN3 |
|---|---|
| Molecular Weight | 138.99 g/mol |
| LogP | 1.00168 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.99373 |
| Heavy Atoms | 9 |
| Complexity | 235.37517 |
Chemical Identifiers
| CAS Number | 38550-46-8 |
|---|---|
| SMILES | C1=C(C=NC(=N1)C#N)Cl |
Product Overview
5-Chloropyrimidine-2-carbonitrile (CAS 38550-46-8), with molecular formula C5H2ClN3 and molecular weight 138.99 g/mol. IUPAC: 5-chloropyrimidine-2-carbonitrile.
Chemical Property Profile of 5-Chloropyrimidine-2-carbonitrile
Property Insights of 5-Chloropyrimidine-2-carbonitrile
The XLogP value of 1.00168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloropyrimidine-2-carbonitrile. With a topological polar surface area (TPSA) of 49.57 Ų, 5-Chloropyrimidine-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloropyrimidine-2-carbonitrile has 0 hydrogen bond donor(s) and 3 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 5-Chloropyrimidine-2-carbonitrile?
The CAS number of 5-Chloropyrimidine-2-carbonitrile is 38550-46-8.
What is the molecular formula of 5-Chloropyrimidine-2-carbonitrile?
The molecular formula of 5-Chloropyrimidine-2-carbonitrile is C5H2ClN3.
What is the molecular weight of 5-Chloropyrimidine-2-carbonitrile?
The molecular weight of 5-Chloropyrimidine-2-carbonitrile is 138.99 g/mol.
Where can I buy 5-Chloropyrimidine-2-carbonitrile?
You can request a quote for 5-Chloropyrimidine-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloropyrimidine-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloropyrimidine-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.