About 2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine
2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine (PubChem CID 139752285) has the molecular formula C15H10Cl2N2
and a molecular weight of 289.17 g/mol. Its IUPAC name is 2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine.
Molecular Properties
| Compound Name | 2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine |
| PubChem CID | 139752285 |
| Molecular Formula | C15H10Cl2N2 |
| Molecular Weight | 289.17 g/mol |
| Exact Mass | 288.02 |
| IUPAC Name | 2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine |
| SMILES | Clc1cccc(-c2[nH]c(Cl)cc2-c2ccccn2)c1 |
| InChI | InChI=1S/C15H10Cl2N2/c16-11-5-3-4-10(8-11)15-12(9-14(17)19-15)13-6-1-2-7-18-13/h1-9,19H |
| InChIKey | GQYMSUDCTKIQOO-UHFFFAOYSA-N |
| XLogP | 5.05 |
| TPSA | 28.68 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 289.17 |
| LogP ≤ 5 | 5.05 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine?
The IUPAC name of 2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine (CID 139752285) is 2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine.
What is the SMILES notation for 2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine?
The canonical SMILES for 2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine is Clc1cccc(-c2[nH]c(Cl)cc2-c2ccccn2)c1.
What is the InChIKey of 2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine?
The InChIKey is GQYMSUDCTKIQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2/c16-11-5-3-4-10(8-11)15-12(9-14(17)19-15)13-6-1-2-7-18-13/h1-9,19H.
What are the key properties of 2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine?
2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine has a molecular weight of 289.17 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine is sourced from PubChem (CID 139752285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).