N-(3-chloro-2-methylphenyl)isonicotinamide
TL;DR: N-(3-chloro-2-methylphenyl)isonicotinamide (CAS 68280-07-9) is a chemical compound with molecular formula C13H11ClN2O and molecular weight 246.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide
Also Known As: N-(3-chloro-2-methylphenyl)isonicotinamide, N-(3-chloro-2-tolyl)isonicotinamide, BAS 01392817, N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide, F3153-4971
| Molecular Formula | C13H11ClN2O |
|---|---|
| Molecular Weight | 246.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.05598 |
| Heavy Atoms | 17 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 68280-07-9 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)C2=CC=NC=C2 |
| InChIKey | YGHJSNJVLDXZRV-UHFFFAOYSA-N |
Product Overview
N-(3-chloro-2-methylphenyl)isonicotinamide (CAS 68280-07-9), with molecular formula C13H11ClN2O and molecular weight 246.06 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide.
Chemical Property Profile of N-(3-chloro-2-methylphenyl)isonicotinamide
Property Insights of N-(3-chloro-2-methylphenyl)isonicotinamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-chloro-2-methylphenyl)isonicotinamide. With a topological polar surface area (TPSA) of 42.0 Ų, N-(3-chloro-2-methylphenyl)isonicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chloro-2-methylphenyl)isonicotinamide 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
Frequently Asked Questions
What is the CAS number of N-(3-chloro-2-methylphenyl)isonicotinamide?
The CAS number of N-(3-chloro-2-methylphenyl)isonicotinamide is 68280-07-9.
What is the molecular formula of N-(3-chloro-2-methylphenyl)isonicotinamide?
The molecular formula of N-(3-chloro-2-methylphenyl)isonicotinamide is C13H11ClN2O.
What is the molecular weight of N-(3-chloro-2-methylphenyl)isonicotinamide?
The molecular weight of N-(3-chloro-2-methylphenyl)isonicotinamide is 246.06 g/mol.
Where can I buy N-(3-chloro-2-methylphenyl)isonicotinamide?
You can request a quote for N-(3-chloro-2-methylphenyl)isonicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-2-methylphenyl)isonicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-2-methylphenyl)isonicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.