About 2-chloropyridine;3-chloropyridine;4-chloropyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;4-methylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
2-chloropyridine;3-chloropyridine;4-chloropyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;4-methylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine (PubChem CID 161468037) has the molecular formula C72H55Cl3F12N16
and a molecular weight of 1478.68 g/mol. Its IUPAC name is 2-chloropyridine;3-chloropyridine;4-chloropyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;4-methylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine.
Molecular Properties
| Compound Name | 2-chloropyridine;3-chloropyridine;4-chloropyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;4-methylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine |
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| PubChem CID | 161468037 |
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| Molecular Formula | C72H55Cl3F12N16 |
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| Molecular Weight | 1478.68 g/mol |
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| Exact Mass | 1476.37 |
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| IUPAC Name | 2-chloropyridine;3-chloropyridine;4-chloropyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;4-methylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine |
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| SMILES | Cc1ccncc1.Clc1ccccn1.Clc1cccnc1.Clc1ccncc1.FC(F)(F)c1ccccn1.FC(F)(F)c1cccnc1.FC(F)(F)c1ccncc1.Fc1ccccn1.Fc1cccnc1.Fc1ccncc1.N#Cc1ccccn1.N#Cc1cccnc1.N#Cc1ccncc1 |
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| InChI | InChI=1S/3C6H4F3N.3C6H4N2.C6H7N.3C5H4ClN.3C5H4FN/c7-6(8,9)5-1-3-10-4-2-5;7-6(8,9)5-2-1-3-10-4-5;7-6(8,9)5-3-1-2-4-10-5;7-5-6-1-3-8-4-2-6;7-4-6-2-1-3-8-5-6;7-5-6-3-1-2-4-8-6;1-6-2-4-7-5-3-6;6-5-1-3-7-4-2-5;6-5-2-1-3-7-4-5;6-5-3-1-2-4-7-5;6-5-1-3-7-4-2-5;6-5-2-1-3-7-4-5;6-5-3-1-2-4-7-5/h3*1-4H;1-4H;1-3,5H;1-4H;2-5H,1H3;6*1-4H |
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| InChIKey | WCRVAHMIZHYGPJ-UHFFFAOYSA-N |
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| XLogP | 19.42 |
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| TPSA | 238.94 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 16 |
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| Rotatable Bonds | |
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| Heavy Atoms | 103 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1478.68 |
| LogP ≤ 5 | 19.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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Analyze 2-chloropyridine;3-chloropyridine;4-chloropyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;4-methylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-chloropyridine;3-chloropyridine;4-chloropyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;4-methylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloropyridine;3-chloropyridine;4-chloropyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;4-methylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine (CID 161468037) is 2-chloropyridine;3-chloropyridine;4-chloropyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;4-methylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloropyridine;3-chloropyridine;4-chloropyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;4-methylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloropyridine;3-chloropyridine;4-chloropyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;4-methylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine is Cc1ccncc1.Clc1ccccn1.Clc1cccnc1.Clc1ccncc1.FC(F)(F)c1ccccn1.FC(F)(F)c1cccnc1.FC(F)(F)c1ccncc1.Fc1ccccn1.Fc1cccnc1.Fc1ccncc1.N#Cc1ccccn1.N#Cc1cccnc1.N#Cc1ccncc1.
What is the InChIKey of 2-chloropyridine;3-chloropyridine;4-chloropyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;4-methylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine?
The InChIKey is WCRVAHMIZHYGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H4F3N.3C6H4N2.C6H7N.3C5H4ClN.3C5H4FN/c7-6(8,9)5-1-3-10-4-2-5;7-6(8,9)5-2-1-3-10-4-5;7-6(8,9)5-3-1-2-4-10-5;7-5-6-1-3-8-4-2-6;7-4-6-2-1-3-8-5-6;7-5-6-3-1-2-4-8-6;1-6-2-4-7-5-3-6;6-5-1-3-7-4-2-5;6-5-2-1-3-7-4-5;6-5-3-1-2-4-7-5;6-5-1-3-7-4-2-5;6-5-2-1-3-7-4-5;6-5-3-1-2-4-7-5/h3*1-4H;1-4H;1-3,5H;1-4H;2-5H,1H3;6*1-4H.
What are the key properties of 2-chloropyridine;3-chloropyridine;4-chloropyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;4-methylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine?
2-chloropyridine;3-chloropyridine;4-chloropyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;4-methylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine has a molecular weight of 1478.68 g/mol, XLogP of 19.42, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropyridine;3-chloropyridine;4-chloropyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;4-methylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine is sourced from PubChem (CID 161468037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).