4,5-Bis(chloromethyl)-2-methylpyridin-3-ol
TL;DR: 4,5-Bis(chloromethyl)-2-methylpyridin-3-ol (CAS 102694-13-3) is a chemical compound with molecular formula C8H9Cl2NO and molecular weight 205.00612 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5-bis(chloromethyl)-2-methylpyridin-3-ol
Also Known As: 4',5'-Dichloropyridoxine, Vitamin B6 Impurity 121, 4,5-bis(chloromethyl)-2-methylpyridin-3-ol, NCI60_004166, 2-methyl-3-hydroxy-4,5-bis(chloromethyl)pyridine
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H9Cl2NO |
| Molecular Weight | 205.00612 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.00612 Da |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
| SMILES | CC1=NC=C(C(=C1O)CCl)CCl |
| InChIKey | PGRGBTRGXLKHEC-UHFFFAOYSA-N |
Chemical Property Profile of 4,5-Bis(chloromethyl)-2-methylpyridin-3-ol
Property Insights of 4,5-Bis(chloromethyl)-2-methylpyridin-3-ol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Bis(chloromethyl)-2-methylpyridin-3-ol. With a topological polar surface area (TPSA) of 33.1 Ų, 4,5-Bis(chloromethyl)-2-methylpyridin-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Bis(chloromethyl)-2-methylpyridin-3-ol 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
What is the CAS number of 4,5-Bis(chloromethyl)-2-methylpyridin-3-ol?
The CAS number of 4,5-Bis(chloromethyl)-2-methylpyridin-3-ol is 102694-13-3.
What is the molecular formula of 4,5-Bis(chloromethyl)-2-methylpyridin-3-ol?
The molecular formula of 4,5-Bis(chloromethyl)-2-methylpyridin-3-ol is C8H9Cl2NO.
What is the molecular weight of 4,5-Bis(chloromethyl)-2-methylpyridin-3-ol?
The molecular weight of 4,5-Bis(chloromethyl)-2-methylpyridin-3-ol is 205.00612 g/mol.
Where can I buy 4,5-Bis(chloromethyl)-2-methylpyridin-3-ol?
You can request a quote for 4,5-Bis(chloromethyl)-2-methylpyridin-3-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,5-Bis(chloromethyl)-2-methylpyridin-3-ol?
Yes, CoreyChem provides custom synthesis services for 4,5-Bis(chloromethyl)-2-methylpyridin-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.