2-methyl-6-(1H-pyrrol-1-yl)benzenecarbonitrile
TL;DR: 2-methyl-6-(1H-pyrrol-1-yl)benzenecarbonitrile (CAS 862595-52-6) is a chemical compound with molecular formula C12H10N2 and molecular weight 182.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-6-pyrrol-1-ylbenzonitrile
Also Known As: 2-methyl-6-(1H-pyrrol-1-yl)benzonitrile, 2-methyl-6-pyrrol-1-ylbenzonitrile, 2-methyl-6-(1H-pyrrol-1-yl)benzenecarbonitrile, 2-methyl-6-pyrrol-1-yl-benzonitrile, 2-methyl-6-(pyrrol-1-yl)benzonitrile
| Molecular Formula | C12H10N2 |
|---|---|
| Molecular Weight | 182.08 g/mol |
| LogP | 2.6574 |
| Topological Polar Surface Area | 28.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.0844 |
| Heavy Atoms | 14 |
| Complexity | 475.518 |
Chemical Identifiers
| CAS Number | 862595-52-6 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2C=CC=C2)C#N |
Product Overview
2-methyl-6-(1H-pyrrol-1-yl)benzenecarbonitrile (CAS 862595-52-6), with molecular formula C12H10N2 and molecular weight 182.08 g/mol. IUPAC: 2-methyl-6-pyrrol-1-ylbenzonitrile.
Chemical Property Profile of 2-methyl-6-(1H-pyrrol-1-yl)benzenecarbonitrile
Property Insights of 2-methyl-6-(1H-pyrrol-1-yl)benzenecarbonitrile
The XLogP value of 2.6574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-6-(1H-pyrrol-1-yl)benzenecarbonitrile. With a topological polar surface area (TPSA) of 28.72 Ų, 2-methyl-6-(1H-pyrrol-1-yl)benzenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-6-(1H-pyrrol-1-yl)benzenecarbonitrile has 0 hydrogen bond donor(s) and 1 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-methyl-6-(1H-pyrrol-1-yl)benzenecarbonitrile?
The CAS number of 2-methyl-6-(1H-pyrrol-1-yl)benzenecarbonitrile is 862595-52-6.
What is the molecular formula of 2-methyl-6-(1H-pyrrol-1-yl)benzenecarbonitrile?
The molecular formula of 2-methyl-6-(1H-pyrrol-1-yl)benzenecarbonitrile is C12H10N2.
What is the molecular weight of 2-methyl-6-(1H-pyrrol-1-yl)benzenecarbonitrile?
The molecular weight of 2-methyl-6-(1H-pyrrol-1-yl)benzenecarbonitrile is 182.08 g/mol.
Where can I buy 2-methyl-6-(1H-pyrrol-1-yl)benzenecarbonitrile?
You can request a quote for 2-methyl-6-(1H-pyrrol-1-yl)benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-6-(1H-pyrrol-1-yl)benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-6-(1H-pyrrol-1-yl)benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.