About 2-hydroxybenzaldehyde;2-[7-(2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]phenol;(2-hydroxyphenyl)-pyridazin-3-ylmethanone
2-hydroxybenzaldehyde;2-[7-(2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]phenol;(2-hydroxyphenyl)-pyridazin-3-ylmethanone (PubChem CID 162227873) has the molecular formula C36H27N5O6
and a molecular weight of 625.64 g/mol. Its IUPAC name is 2-hydroxybenzaldehyde;2-[7-(2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]phenol;(2-hydroxyphenyl)-pyridazin-3-ylmethanone.
Molecular Properties
| Compound Name | 2-hydroxybenzaldehyde;2-[7-(2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]phenol;(2-hydroxyphenyl)-pyridazin-3-ylmethanone |
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| PubChem CID | 162227873 |
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| Molecular Formula | C36H27N5O6 |
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| Molecular Weight | 625.64 g/mol |
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| Exact Mass | 625.20 |
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| IUPAC Name | 2-hydroxybenzaldehyde;2-[7-(2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]phenol;(2-hydroxyphenyl)-pyridazin-3-ylmethanone |
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| SMILES | O=C(c1cccnn1)c1ccccc1O.O=Cc1ccccc1O.Oc1ccccc1-c1nc(-c2ccccc2O)n2ncccc12 |
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| InChI | InChI=1S/C18H13N3O2.C11H8N2O2.C7H6O2/c22-15-9-3-1-6-12(15)17-14-8-5-11-19-21(14)18(20-17)13-7-2-4-10-16(13)23;14-10-6-2-1-4-8(10)11(15)9-5-3-7-12-13-9;8-5-6-3-1-2-4-7(6)9/h1-11,22-23H;1-7,14H;1-5,9H |
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| InChIKey | ZUZPTUONJMWPIW-UHFFFAOYSA-N |
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| XLogP | 6.09 |
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| TPSA | 171.03 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 47 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 625.64 |
| LogP ≤ 5 | 6.09 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 11 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-hydroxybenzaldehyde;2-[7-(2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]phenol;(2-hydroxyphenyl)-pyridazin-3-ylmethanone?
The IUPAC name of 2-hydroxybenzaldehyde;2-[7-(2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]phenol;(2-hydroxyphenyl)-pyridazin-3-ylmethanone (CID 162227873) is 2-hydroxybenzaldehyde;2-[7-(2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]phenol;(2-hydroxyphenyl)-pyridazin-3-ylmethanone.
What is the SMILES notation for 2-hydroxybenzaldehyde;2-[7-(2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]phenol;(2-hydroxyphenyl)-pyridazin-3-ylmethanone?
The canonical SMILES for 2-hydroxybenzaldehyde;2-[7-(2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]phenol;(2-hydroxyphenyl)-pyridazin-3-ylmethanone is O=C(c1cccnn1)c1ccccc1O.O=Cc1ccccc1O.Oc1ccccc1-c1nc(-c2ccccc2O)n2ncccc12.
What is the InChIKey of 2-hydroxybenzaldehyde;2-[7-(2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]phenol;(2-hydroxyphenyl)-pyridazin-3-ylmethanone?
The InChIKey is ZUZPTUONJMWPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2.C11H8N2O2.C7H6O2/c22-15-9-3-1-6-12(15)17-14-8-5-11-19-21(14)18(20-17)13-7-2-4-10-16(13)23;14-10-6-2-1-4-8(10)11(15)9-5-3-7-12-13-9;8-5-6-3-1-2-4-7(6)9/h1-11,22-23H;1-7,14H;1-5,9H.
What are the key properties of 2-hydroxybenzaldehyde;2-[7-(2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]phenol;(2-hydroxyphenyl)-pyridazin-3-ylmethanone?
2-hydroxybenzaldehyde;2-[7-(2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]phenol;(2-hydroxyphenyl)-pyridazin-3-ylmethanone has a molecular weight of 625.64 g/mol, XLogP of 6.09, 5 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzaldehyde;2-[7-(2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]phenol;(2-hydroxyphenyl)-pyridazin-3-ylmethanone is sourced from PubChem (CID 162227873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).