2-(3-Bromo-phenylamino)-4,6-dimethyl-nicotinonitrile
TL;DR: 2-(3-Bromo-phenylamino)-4,6-dimethyl-nicotinonitrile (CAS 142591-27-3) is a chemical compound with molecular formula C14H12BrN3 and molecular weight 301.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-bromoanilino)-4,6-dimethylpyridine-3-carbonitrile
Also Known As: BAS 00648511, 2-(3-Bromo-phenylamino)-4,6-dimethyl-nicotinonitrile, 2-(3-bromoanilino)-4,6-dimethylnicotinonitrile, 2-(3-bromoanilino)-4,6-dimethylpyridine-3-carbonitrile, 2-((3-bromophenyl)amino)-4,6-dimethylnicotinonitrile
| Molecular Formula | C14H12BrN3 |
|---|---|
| Molecular Weight | 301.02 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 48.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.02145 |
| Heavy Atoms | 18 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 142591-27-3 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)NC2=CC(=CC=C2)Br)C |
| InChIKey | BHBNQCKHNASKND-UHFFFAOYSA-N |
Product Overview
2-(3-Bromo-phenylamino)-4,6-dimethyl-nicotinonitrile (CAS 142591-27-3), with molecular formula C14H12BrN3 and molecular weight 301.02 g/mol. IUPAC: 2-(3-bromoanilino)-4,6-dimethylpyridine-3-carbonitrile.
Chemical Property Profile of 2-(3-Bromo-phenylamino)-4,6-dimethyl-nicotinonitrile
Property Insights of 2-(3-Bromo-phenylamino)-4,6-dimethyl-nicotinonitrile
The XLogP value of 4.5 indicates that 2-(3-Bromo-phenylamino)-4,6-dimethyl-nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.7 Ų, 2-(3-Bromo-phenylamino)-4,6-dimethyl-nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Bromo-phenylamino)-4,6-dimethyl-nicotinonitrile has 1 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 2-(3-Bromo-phenylamino)-4,6-dimethyl-nicotinonitrile?
The CAS number of 2-(3-Bromo-phenylamino)-4,6-dimethyl-nicotinonitrile is 142591-27-3.
What is the molecular formula of 2-(3-Bromo-phenylamino)-4,6-dimethyl-nicotinonitrile?
The molecular formula of 2-(3-Bromo-phenylamino)-4,6-dimethyl-nicotinonitrile is C14H12BrN3.
What is the molecular weight of 2-(3-Bromo-phenylamino)-4,6-dimethyl-nicotinonitrile?
The molecular weight of 2-(3-Bromo-phenylamino)-4,6-dimethyl-nicotinonitrile is 301.02 g/mol.
Where can I buy 2-(3-Bromo-phenylamino)-4,6-dimethyl-nicotinonitrile?
You can request a quote for 2-(3-Bromo-phenylamino)-4,6-dimethyl-nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Bromo-phenylamino)-4,6-dimethyl-nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Bromo-phenylamino)-4,6-dimethyl-nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.