About 6-methyl-8,8a-dihydrophosphinino[2,3-b]pyridine
6-methyl-8,8a-dihydrophosphinino[2,3-b]pyridine (PubChem CID 123360660) has the molecular formula C9H10NP
and a molecular weight of 163.16 g/mol. Its IUPAC name is 6-methyl-8,8a-dihydrophosphinino[2,3-b]pyridine.
Molecular Properties
| Compound Name | 6-methyl-8,8a-dihydrophosphinino[2,3-b]pyridine |
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| PubChem CID | 123360660 |
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| Molecular Formula | C9H10NP |
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| Molecular Weight | 163.16 g/mol |
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| Exact Mass | 163.06 |
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| IUPAC Name | 6-methyl-8,8a-dihydrophosphinino[2,3-b]pyridine |
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| SMILES | CC1=CPC2N=CC=CC2=C1 |
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| InChI | InChI=1S/C9H10NP/c1-7-5-8-3-2-4-10-9(8)11-6-7/h2-6,9,11H,1H3 |
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| InChIKey | AARUUPNILAHCDB-UHFFFAOYSA-N |
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| XLogP | 2.48 |
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| TPSA | 12.36 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | |
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| Heavy Atoms | 11 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 163.16 |
| LogP ≤ 5 | 2.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 6-methyl-8,8a-dihydrophosphinino[2,3-b]pyridine?
The IUPAC name of 6-methyl-8,8a-dihydrophosphinino[2,3-b]pyridine (CID 123360660) is 6-methyl-8,8a-dihydrophosphinino[2,3-b]pyridine.
What is the SMILES notation for 6-methyl-8,8a-dihydrophosphinino[2,3-b]pyridine?
The canonical SMILES for 6-methyl-8,8a-dihydrophosphinino[2,3-b]pyridine is CC1=CPC2N=CC=CC2=C1.
What is the InChIKey of 6-methyl-8,8a-dihydrophosphinino[2,3-b]pyridine?
The InChIKey is AARUUPNILAHCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NP/c1-7-5-8-3-2-4-10-9(8)11-6-7/h2-6,9,11H,1H3.
What are the key properties of 6-methyl-8,8a-dihydrophosphinino[2,3-b]pyridine?
6-methyl-8,8a-dihydrophosphinino[2,3-b]pyridine has a molecular weight of 163.16 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8,8a-dihydrophosphinino[2,3-b]pyridine is sourced from PubChem (CID 123360660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).