About 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;bis(3-propan-2-ylpyridine-2-carbonitrile);2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine
2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;bis(3-propan-2-ylpyridine-2-carbonitrile);2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine (PubChem CID 160680842) has the molecular formula C153H189Cl3F15N21
and a molecular weight of 2713.67 g/mol. Its IUPAC name is 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;bis(3-propan-2-ylpyridine-2-carbonitrile);2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine.
Molecular Properties
| Compound Name | 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;bis(3-propan-2-ylpyridine-2-carbonitrile);2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine |
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| PubChem CID | 160680842 |
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| Molecular Formula | C153H189Cl3F15N21 |
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| Molecular Weight | 2713.67 g/mol |
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| Exact Mass | 2710.43 |
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| IUPAC Name | 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;bis(3-propan-2-ylpyridine-2-carbonitrile);2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine |
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| SMILES | CC(C)c1cc(F)ccn1.CC(C)c1ccc(F)cn1.CC(C)c1cccc(F)n1.CC(C)c1cccnc1C#N.CC(C)c1cccnc1C#N.CC(C)c1cccnc1C(F)(F)F.CC(C)c1cccnc1Cl.CC(C)c1cccnc1F.CC(C)c1cnccc1C(F)(F)F.CC(C)c1cnccc1Cl.CC(C)c1cnccc1F.CC(C)c1ncccc1C#N.CC(C)c1ncccc1C(F)(F)F.CC(C)c1ncccc1Cl.CC(C)c1ncccc1F.Cc1cccnc1C(C)C.Cc1ccncc1C(C)C.Cc1ncccc1C(C)C |
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| InChI | InChI=1S/3C9H10F3N.3C9H10N2.3C9H13N.3C8H10ClN.6C8H10FN/c1-6(2)7-5-13-4-3-8(7)9(10,11)12;1-6(2)8-7(9(10,11)12)4-3-5-13-8;1-6(2)7-4-3-5-13-8(7)9(10,11)12;2*1-7(2)8-4-3-5-11-9(8)6-10;1-7(2)9-8(6-10)4-3-5-11-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-6-10-8(9)3;1-7(2)9-8(3)5-4-6-10-9;1-6(2)7-5-10-4-3-8(7)9;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-4-3-5-10-8(7)9;1-6(2)7-5-10-4-3-8(7)9;1-6(2)8-5-7(9)3-4-10-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-4-3-5-10-8(7)9;1-6(2)7-4-3-5-8(9)10-7/h3*3-6H,1-2H3;3*3-5,7H,1-2H3;3*4-7H,1-3H3;9*3-6H,1-2H3 |
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| InChIKey | ROCVOBIJVVJOCE-UHFFFAOYSA-N |
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| XLogP | 46.08 |
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| TPSA | 303.39 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 21 |
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| Rotatable Bonds | 18 |
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| Heavy Atoms | 192 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 2713.67 |
| LogP ≤ 5 | 46.08 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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Analyze 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;bis(3-propan-2-ylpyridine-2-carbonitrile);2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;bis(3-propan-2-ylpyridine-2-carbonitrile);2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;bis(3-propan-2-ylpyridine-2-carbonitrile);2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine (CID 160680842) is 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;bis(3-propan-2-ylpyridine-2-carbonitrile);2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;bis(3-propan-2-ylpyridine-2-carbonitrile);2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;bis(3-propan-2-ylpyridine-2-carbonitrile);2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine is CC(C)c1cc(F)ccn1.CC(C)c1ccc(F)cn1.CC(C)c1cccc(F)n1.CC(C)c1cccnc1C#N.CC(C)c1cccnc1C#N.CC(C)c1cccnc1C(F)(F)F.CC(C)c1cccnc1Cl.CC(C)c1cccnc1F.CC(C)c1cnccc1C(F)(F)F.CC(C)c1cnccc1Cl.CC(C)c1cnccc1F.CC(C)c1ncccc1C#N.CC(C)c1ncccc1C(F)(F)F.CC(C)c1ncccc1Cl.CC(C)c1ncccc1F.Cc1cccnc1C(C)C.Cc1ccncc1C(C)C.Cc1ncccc1C(C)C.
What is the InChIKey of 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;bis(3-propan-2-ylpyridine-2-carbonitrile);2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine?
The InChIKey is ROCVOBIJVVJOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H10F3N.3C9H10N2.3C9H13N.3C8H10ClN.6C8H10FN/c1-6(2)7-5-13-4-3-8(7)9(10,11)12;1-6(2)8-7(9(10,11)12)4-3-5-13-8;1-6(2)7-4-3-5-13-8(7)9(10,11)12;2*1-7(2)8-4-3-5-11-9(8)6-10;1-7(2)9-8(6-10)4-3-5-11-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-6-10-8(9)3;1-7(2)9-8(3)5-4-6-10-9;1-6(2)7-5-10-4-3-8(7)9;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-4-3-5-10-8(7)9;1-6(2)7-5-10-4-3-8(7)9;1-6(2)8-5-7(9)3-4-10-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-4-3-5-10-8(7)9;1-6(2)7-4-3-5-8(9)10-7/h3*3-6H,1-2H3;3*3-5,7H,1-2H3;3*4-7H,1-3H3;9*3-6H,1-2H3.
What are the key properties of 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;bis(3-propan-2-ylpyridine-2-carbonitrile);2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine?
2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;bis(3-propan-2-ylpyridine-2-carbonitrile);2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine has a molecular weight of 2713.67 g/mol, XLogP of 46.08, 18 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;bis(3-propan-2-ylpyridine-2-carbonitrile);2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 160680842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).