2-(2-Cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)acetonitrile
TL;DR: 2-(2-Cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)acetonitrile (CAS 303150-55-2) is a chemical compound with molecular formula C14H10FN3 and molecular weight 239.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[cyano-(1-methylpyrrol-2-yl)methyl]-6-fluorobenzonitrile
Also Known As: Bionet2_000759, 2-(2-Cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)acetonitrile, 2-[cyano-(1-methylpyrrol-2-yl)methyl]-6-fluorobenzonitrile, 2-[cyano(1-methyl-1H-pyrrol-2-yl)methyl]-6-fluorobenzonitrile, 2-[cyano(1-methylpyrrol-2-yl)methyl]-6-fluorobenzonitrile
| Molecular Formula | C14H10FN3 |
|---|---|
| Molecular Weight | 239.09 g/mol |
| LogP | 2.69136 |
| Topological Polar Surface Area | 52.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.08588 |
| Heavy Atoms | 18 |
| Complexity | 658.4091 |
Chemical Identifiers
| CAS Number | 303150-55-2 |
|---|---|
| SMILES | CN1C=CC=C1C(C#N)C2=C(C(=CC=C2)F)C#N |
Product Overview
2-(2-Cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)acetonitrile (CAS 303150-55-2), with molecular formula C14H10FN3 and molecular weight 239.09 g/mol. IUPAC: 2-[cyano-(1-methylpyrrol-2-yl)methyl]-6-fluorobenzonitrile.
Chemical Property Profile of 2-(2-Cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)acetonitrile
Property Insights of 2-(2-Cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)acetonitrile
The XLogP value of 2.69136 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)acetonitrile. With a topological polar surface area (TPSA) of 52.51 Ų, 2-(2-Cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)acetonitrile 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 2-(2-Cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)acetonitrile?
The CAS number of 2-(2-Cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)acetonitrile is 303150-55-2.
What is the molecular formula of 2-(2-Cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)acetonitrile?
The molecular formula of 2-(2-Cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)acetonitrile is C14H10FN3.
What is the molecular weight of 2-(2-Cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)acetonitrile?
The molecular weight of 2-(2-Cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)acetonitrile is 239.09 g/mol.
Where can I buy 2-(2-Cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)acetonitrile?
You can request a quote for 2-(2-Cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Cyano-3-fluorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.