2-氯烟腈
TL;DR: 2-氯烟腈 (CAS 6602-54-6) is a chemical compound with molecular formula C6H3ClN2 and molecular weight 138.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯烟腈
2-chloropyridine-3-carbonitrile
Also Known As: 2-Chloronicotinonitrile, 2-Chloro-3-cyanopyridine, 2-Chloropyridine-3-carbonitrile, 2-Chloro-3-pyridinecarbonitrile, 3-Pyridinecarbonitrile, 2-chloro-
| Molecular Formula | C6H3ClN2 |
|---|---|
| Molecular Weight | 138.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 137.99847 |
| Heavy Atoms | 9 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 6602-54-6 |
|---|---|
| SMILES | C1=CC(=C(N=C1)Cl)C#N |
| InChIKey | JAUPUQRPBNDMDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯烟腈 (CAS 6602-54-6), with molecular formula C6H3ClN2 and molecular weight 138.00 g/mol. IUPAC: 2-chloropyridine-3-carbonitrile.
Chemical Property Profile of 2-氯烟腈
Property Insights of 2-氯烟腈
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯烟腈. With a topological polar surface area (TPSA) of 36.7 Ų, 2-氯烟腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯烟腈 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-氯烟腈?
The CAS number of 2-氯烟腈 is 6602-54-6.
What is the molecular formula of 2-氯烟腈?
The molecular formula of 2-氯烟腈 is C6H3ClN2.
What is the molecular weight of 2-氯烟腈?
The molecular weight of 2-氯烟腈 is 138.00 g/mol.
Where can I buy 2-氯烟腈?
You can request a quote for 2-氯烟腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯烟腈?
Yes, KEHONG BIO provides custom synthesis services for 2-氯烟腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.