TL;DR: 2,3-dimethyl-5-nitro-1H-indole (CAS 21296-94-6) is a chemical compound with molecular formula C10H10N2O2 and molecular weight 190.07423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-dimethyl-5-nitro-1H-indole
Also Known As: 2,3-Dimethyl-5-nitro-1H-indole, 2,3-DIMETHYL-5-NITROINDOLE, D-glucosaminicacid, 1H-Indole, 2,3-dimethyl-5-nitro-, RARECHEM AH BS 0099
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H10N2O2 |
| Molecular Weight | 190.07423 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.07423 Da |
| Heavy Atoms | 14 |
| Complexity | 239.0 |
| SMILES | CC1=C(NC2=C1C=C(C=C2)[N+](=O)[O-])C |
| InChIKey | LKIMRQIKTONPER-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-dimethyl-5-nitro-1H-indole. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-dimethyl-5-nitro-1H-indole. Following Lipinski's Rule of Five, 2,3-dimethyl-5-nitro-1H-indole has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,3-dimethyl-5-nitro-1H-indole is 21296-94-6.
The molecular formula of 2,3-dimethyl-5-nitro-1H-indole is C10H10N2O2.
The molecular weight of 2,3-dimethyl-5-nitro-1H-indole is 190.07423 g/mol.
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