About 2-chloro-6-methylquinoline-4-carbonitrile
2-chloro-6-methylquinoline-4-carbonitrile (PubChem CID 83638097) has the molecular formula C11H7ClN2
and a molecular weight of 202.64 g/mol. Its IUPAC name is 2-chloro-6-methylquinoline-4-carbonitrile.
Molecular Properties
| Compound Name | 2-chloro-6-methylquinoline-4-carbonitrile |
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| PubChem CID | 83638097 |
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| Molecular Formula | C11H7ClN2 |
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| Molecular Weight | 202.64 g/mol |
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| Exact Mass | 202.03 |
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| IUPAC Name | 2-chloro-6-methylquinoline-4-carbonitrile |
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| SMILES | Cc1ccc2nc(Cl)cc(C#N)c2c1 |
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| InChI | InChI=1S/C11H7ClN2/c1-7-2-3-10-9(4-7)8(6-13)5-11(12)14-10/h2-5H,1H3 |
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| InChIKey | NEWUFYPQNTYEQK-UHFFFAOYSA-N |
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| XLogP | 3.07 |
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| TPSA | 36.68 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 14 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 202.64 |
| LogP ≤ 5 | 3.07 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-chloro-6-methylquinoline-4-carbonitrile?
The IUPAC name of 2-chloro-6-methylquinoline-4-carbonitrile (CID 83638097) is 2-chloro-6-methylquinoline-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-methylquinoline-4-carbonitrile?
The canonical SMILES for 2-chloro-6-methylquinoline-4-carbonitrile is Cc1ccc2nc(Cl)cc(C#N)c2c1.
What is the InChIKey of 2-chloro-6-methylquinoline-4-carbonitrile?
The InChIKey is NEWUFYPQNTYEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2/c1-7-2-3-10-9(4-7)8(6-13)5-11(12)14-10/h2-5H,1H3.
What are the key properties of 2-chloro-6-methylquinoline-4-carbonitrile?
2-chloro-6-methylquinoline-4-carbonitrile has a molecular weight of 202.64 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methylquinoline-4-carbonitrile is sourced from PubChem (CID 83638097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).