(1-Methyl-1H-pyrrol-2-yl)(4-nitrophenyl)methanone
TL;DR: (1-Methyl-1H-pyrrol-2-yl)(4-nitrophenyl)methanone (CAS 157846-99-6) is a chemical compound with molecular formula C12H10N2O3 and molecular weight 230.06914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-methylpyrrol-2-yl)-(4-nitrophenyl)methanone
Also Known As: 1-Methyl-2-(4-nitrobenzoyl)-1H-pyrrole, 2-(4-Nitrobenzoyl)-1-methyl-1H-pyrrole, (1-Methyl-1H-pyrrol-2-yl)(4-nitrophenyl)methanone, (1-methylpyrrol-2-yl)-(4-nitrophenyl)methanone, J1.946.881J
Technical Specifications
| Molecular Formula | C12H10N2O3 |
| Molecular Weight | 230.06914 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.06914 Da |
| Heavy Atoms | 17 |
| Complexity | 305.0 |
| SMILES | CN1C=CC=C1C(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | BCYUCOTXUBWXBX-UHFFFAOYSA-N |
Chemical Property Profile of (1-Methyl-1H-pyrrol-2-yl)(4-nitrophenyl)methanone
Property Insights of (1-Methyl-1H-pyrrol-2-yl)(4-nitrophenyl)methanone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Methyl-1H-pyrrol-2-yl)(4-nitrophenyl)methanone. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-Methyl-1H-pyrrol-2-yl)(4-nitrophenyl)methanone. Following Lipinski's Rule of Five, (1-Methyl-1H-pyrrol-2-yl)(4-nitrophenyl)methanone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (1-Methyl-1H-pyrrol-2-yl)(4-nitrophenyl)methanone?
The CAS number of (1-Methyl-1H-pyrrol-2-yl)(4-nitrophenyl)methanone is 157846-99-6.
What is the molecular formula of (1-Methyl-1H-pyrrol-2-yl)(4-nitrophenyl)methanone?
The molecular formula of (1-Methyl-1H-pyrrol-2-yl)(4-nitrophenyl)methanone is C12H10N2O3.
What is the molecular weight of (1-Methyl-1H-pyrrol-2-yl)(4-nitrophenyl)methanone?
The molecular weight of (1-Methyl-1H-pyrrol-2-yl)(4-nitrophenyl)methanone is 230.06914 g/mol.
Where can I buy (1-Methyl-1H-pyrrol-2-yl)(4-nitrophenyl)methanone?
You can request a quote for (1-Methyl-1H-pyrrol-2-yl)(4-nitrophenyl)methanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1-Methyl-1H-pyrrol-2-yl)(4-nitrophenyl)methanone?
Yes, CoreyChem provides custom synthesis services for (1-Methyl-1H-pyrrol-2-yl)(4-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.