6-氯吡啶-2-甲腈
TL;DR: 6-氯吡啶-2-甲腈 (CAS 33252-29-8) 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.
6-氯吡啶-2-甲腈
6-chloropyridine-2-carbonitrile
Also Known As: 2-Chloro-6-cyanopyridine, 6-Chloropicolinonitrile, 6-Chloropyridine-2-carbonitrile, 2-Pyridinecarbonitrile, 6-chloro-, 6-Chloro-2-cyanopyridine
| Molecular Formula | C6H3ClN2 |
|---|---|
| Molecular Weight | 138.00 g/mol |
| LogP | 1.9 |
| 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 | 33252-29-8 |
|---|---|
| SMILES | C1=CC(=NC(=C1)Cl)C#N |
| InChIKey | PGZHSVWXFKKCNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-氯吡啶-2-甲腈 (CAS 33252-29-8), with molecular formula C6H3ClN2 and molecular weight 138.00 g/mol. IUPAC: 6-chloropyridine-2-carbonitrile.
Chemical Property Profile of 6-氯吡啶-2-甲腈
Property Insights of 6-氯吡啶-2-甲腈
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-氯吡啶-2-甲腈. With a topological polar surface area (TPSA) of 36.7 Ų, 6-氯吡啶-2-甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-氯吡啶-2-甲腈 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 6-氯吡啶-2-甲腈?
The CAS number of 6-氯吡啶-2-甲腈 is 33252-29-8.
What is the molecular formula of 6-氯吡啶-2-甲腈?
The molecular formula of 6-氯吡啶-2-甲腈 is C6H3ClN2.
What is the molecular weight of 6-氯吡啶-2-甲腈?
The molecular weight of 6-氯吡啶-2-甲腈 is 138.00 g/mol.
Where can I buy 6-氯吡啶-2-甲腈?
You can request a quote for 6-氯吡啶-2-甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-氯吡啶-2-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 6-氯吡啶-2-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.