About (6-methoxy-3-pyridinyl)-(1H-pyrrol-2-yl)methanone
(6-methoxy-3-pyridinyl)-(1H-pyrrol-2-yl)methanone (PubChem CID 130594883) has the molecular formula C11H10N2O2
and a molecular weight of 202.21 g/mol. Its IUPAC name is (6-methoxy-3-pyridinyl)-(1H-pyrrol-2-yl)methanone.
Molecular Properties
| Compound Name | (6-methoxy-3-pyridinyl)-(1H-pyrrol-2-yl)methanone |
| PubChem CID | 130594883 |
| Molecular Formula | C11H10N2O2 |
| Molecular Weight | 202.21 g/mol |
| Exact Mass | 202.07 |
| IUPAC Name | (6-methoxy-3-pyridinyl)-(1H-pyrrol-2-yl)methanone |
| SMILES | COc1ccc(C(=O)c2ccc[nH]2)cn1 |
| InChI | InChI=1S/C11H10N2O2/c1-15-10-5-4-8(7-13-10)11(14)9-3-2-6-12-9/h2-7,12H,1H3 |
| InChIKey | UNHMEQMIPHZGNQ-UHFFFAOYSA-N |
| XLogP | 1.65 |
| TPSA | 54.98 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 202.21 |
| LogP ≤ 5 | 1.65 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of (6-methoxy-3-pyridinyl)-(1H-pyrrol-2-yl)methanone?
The IUPAC name of (6-methoxy-3-pyridinyl)-(1H-pyrrol-2-yl)methanone (CID 130594883) is (6-methoxy-3-pyridinyl)-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (6-methoxy-3-pyridinyl)-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for (6-methoxy-3-pyridinyl)-(1H-pyrrol-2-yl)methanone is COc1ccc(C(=O)c2ccc[nH]2)cn1.
What is the InChIKey of (6-methoxy-3-pyridinyl)-(1H-pyrrol-2-yl)methanone?
The InChIKey is UNHMEQMIPHZGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-15-10-5-4-8(7-13-10)11(14)9-3-2-6-12-9/h2-7,12H,1H3.
What are the key properties of (6-methoxy-3-pyridinyl)-(1H-pyrrol-2-yl)methanone?
(6-methoxy-3-pyridinyl)-(1H-pyrrol-2-yl)methanone has a molecular weight of 202.21 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-pyridinyl)-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 130594883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).