About pyrido[1,2-a]indole-10-carbonitrile
pyrido[1,2-a]indole-10-carbonitrile (PubChem CID 66666977) has the molecular formula C13H8N2
and a molecular weight of 192.22 g/mol. Its IUPAC name is pyrido[1,2-a]indole-10-carbonitrile.
Molecular Properties
| Compound Name | pyrido[1,2-a]indole-10-carbonitrile |
|---|
| PubChem CID | 66666977 |
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| Molecular Formula | C13H8N2 |
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| Molecular Weight | 192.22 g/mol |
|---|
| Exact Mass | 192.07 |
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| IUPAC Name | pyrido[1,2-a]indole-10-carbonitrile |
|---|
| SMILES | N#Cc1c2ccccc2n2ccccc12 |
|---|
| InChI | InChI=1S/C13H8N2/c14-9-11-10-5-1-2-6-12(10)15-8-4-3-7-13(11)15/h1-8H |
|---|
| InChIKey | QELFBOAMZHGNAV-UHFFFAOYSA-N |
|---|
| XLogP | 2.96 |
|---|
| TPSA | 28.20 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 15 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 192.22 |
| LogP ≤ 5 | 2.96 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of pyrido[1,2-a]indole-10-carbonitrile?
The IUPAC name of pyrido[1,2-a]indole-10-carbonitrile (CID 66666977) is pyrido[1,2-a]indole-10-carbonitrile.
What is the SMILES notation for pyrido[1,2-a]indole-10-carbonitrile?
The canonical SMILES for pyrido[1,2-a]indole-10-carbonitrile is N#Cc1c2ccccc2n2ccccc12.
What is the InChIKey of pyrido[1,2-a]indole-10-carbonitrile?
The InChIKey is QELFBOAMZHGNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2/c14-9-11-10-5-1-2-6-12(10)15-8-4-3-7-13(11)15/h1-8H.
What are the key properties of pyrido[1,2-a]indole-10-carbonitrile?
pyrido[1,2-a]indole-10-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[1,2-a]indole-10-carbonitrile is sourced from PubChem (CID 66666977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).