About 2-tert-butyl-4-(18F)fluoropyridine;2-tert-butyl-6-(18F)fluoropyridine;3-tert-butyl-2-(18F)fluoropyridine;3-tert-butyl-4-(18F)fluoropyridine;4-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyrimidine;methane
2-tert-butyl-4-(18F)fluoropyridine;2-tert-butyl-6-(18F)fluoropyridine;3-tert-butyl-2-(18F)fluoropyridine;3-tert-butyl-4-(18F)fluoropyridine;4-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyrimidine;methane (PubChem CID 158985938) has the molecular formula C69H111F7N8
and a molecular weight of 1178.71 g/mol. Its IUPAC name is 2-tert-butyl-4-(18F)fluoropyridine;2-tert-butyl-6-(18F)fluoropyridine;3-tert-butyl-2-(18F)fluoropyridine;3-tert-butyl-4-(18F)fluoropyridine;4-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyrimidine;methane.
Molecular Properties
| Compound Name | 2-tert-butyl-4-(18F)fluoropyridine;2-tert-butyl-6-(18F)fluoropyridine;3-tert-butyl-2-(18F)fluoropyridine;3-tert-butyl-4-(18F)fluoropyridine;4-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyrimidine;methane |
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| PubChem CID | 158985938 |
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| Molecular Formula | C69H111F7N8 |
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| Molecular Weight | 1178.71 g/mol |
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| Exact Mass | 1177.90 |
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| IUPAC Name | 2-tert-butyl-4-(18F)fluoropyridine;2-tert-butyl-6-(18F)fluoropyridine;3-tert-butyl-2-(18F)fluoropyridine;3-tert-butyl-4-(18F)fluoropyridine;4-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyrimidine;methane |
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| SMILES | C.C.C.C.C.C.C.CC(C)(C)c1cc([18F])ccn1.CC(C)(C)c1ccc([18F])nc1.CC(C)(C)c1cccc([18F])n1.CC(C)(C)c1cccnc1[18F].CC(C)(C)c1ccnc([18F])c1.CC(C)(C)c1cnc([18F])nc1.CC(C)(C)c1cnccc1[18F] |
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| InChI | InChI=1S/6C9H12FN.C8H11FN2.7CH4/c1-9(2,3)7-6-11-5-4-8(7)10;1-9(2,3)8-6-7(10)4-5-11-8;1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)7-5-4-6-11-8(7)10;1-9(2,3)7-5-4-6-8(10)11-7;1-8(2,3)6-4-10-7(9)11-5-6;;;;;;;/h6*4-6H,1-3H3;4-5H,1-3H3;7*1H4/i6*10-1;9-1;;;;;;; |
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| InChIKey | JPOLHSVCHQBRPW-ATMHMPNLSA-N |
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| XLogP | 21.48 |
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| TPSA | 103.12 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | |
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| Heavy Atoms | 84 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1178.71 |
| LogP ≤ 5 | 21.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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Analyze 2-tert-butyl-4-(18F)fluoropyridine;2-tert-butyl-6-(18F)fluoropyridine;3-tert-butyl-2-(18F)fluoropyridine;3-tert-butyl-4-(18F)fluoropyridine;4-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyrimidine;methane with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-tert-butyl-4-(18F)fluoropyridine;2-tert-butyl-6-(18F)fluoropyridine;3-tert-butyl-2-(18F)fluoropyridine;3-tert-butyl-4-(18F)fluoropyridine;4-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyrimidine;methane?
The IUPAC name of 2-tert-butyl-4-(18F)fluoropyridine;2-tert-butyl-6-(18F)fluoropyridine;3-tert-butyl-2-(18F)fluoropyridine;3-tert-butyl-4-(18F)fluoropyridine;4-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyrimidine;methane (CID 158985938) is 2-tert-butyl-4-(18F)fluoropyridine;2-tert-butyl-6-(18F)fluoropyridine;3-tert-butyl-2-(18F)fluoropyridine;3-tert-butyl-4-(18F)fluoropyridine;4-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyrimidine;methane.
What is the SMILES notation for 2-tert-butyl-4-(18F)fluoropyridine;2-tert-butyl-6-(18F)fluoropyridine;3-tert-butyl-2-(18F)fluoropyridine;3-tert-butyl-4-(18F)fluoropyridine;4-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyrimidine;methane?
The canonical SMILES for 2-tert-butyl-4-(18F)fluoropyridine;2-tert-butyl-6-(18F)fluoropyridine;3-tert-butyl-2-(18F)fluoropyridine;3-tert-butyl-4-(18F)fluoropyridine;4-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyrimidine;methane is C.C.C.C.C.C.C.CC(C)(C)c1cc([18F])ccn1.CC(C)(C)c1ccc([18F])nc1.CC(C)(C)c1cccc([18F])n1.CC(C)(C)c1cccnc1[18F].CC(C)(C)c1ccnc([18F])c1.CC(C)(C)c1cnc([18F])nc1.CC(C)(C)c1cnccc1[18F].
What is the InChIKey of 2-tert-butyl-4-(18F)fluoropyridine;2-tert-butyl-6-(18F)fluoropyridine;3-tert-butyl-2-(18F)fluoropyridine;3-tert-butyl-4-(18F)fluoropyridine;4-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyrimidine;methane?
The InChIKey is JPOLHSVCHQBRPW-ATMHMPNLSA-N. The full InChI is InChI=1S/6C9H12FN.C8H11FN2.7CH4/c1-9(2,3)7-6-11-5-4-8(7)10;1-9(2,3)8-6-7(10)4-5-11-8;1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)7-5-4-6-11-8(7)10;1-9(2,3)7-5-4-6-8(10)11-7;1-8(2,3)6-4-10-7(9)11-5-6;;;;;;;/h6*4-6H,1-3H3;4-5H,1-3H3;7*1H4/i6*10-1;9-1;;;;;;;.
What are the key properties of 2-tert-butyl-4-(18F)fluoropyridine;2-tert-butyl-6-(18F)fluoropyridine;3-tert-butyl-2-(18F)fluoropyridine;3-tert-butyl-4-(18F)fluoropyridine;4-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyrimidine;methane?
2-tert-butyl-4-(18F)fluoropyridine;2-tert-butyl-6-(18F)fluoropyridine;3-tert-butyl-2-(18F)fluoropyridine;3-tert-butyl-4-(18F)fluoropyridine;4-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyrimidine;methane has a molecular weight of 1178.71 g/mol, XLogP of 21.48, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(18F)fluoropyridine;2-tert-butyl-6-(18F)fluoropyridine;3-tert-butyl-2-(18F)fluoropyridine;3-tert-butyl-4-(18F)fluoropyridine;4-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyrimidine;methane is sourced from PubChem (CID 158985938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).