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

C69H111F7N8 — CID 158985938

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
• PubChem CID: 158985938
• Molecular Formula: C69H111F7N8
• Molecular Weight: 1178.71 g/mol
• Exact Mass: 1177.90
• 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
• 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]
• 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
• InChIKey: JPOLHSVCHQBRPW-ATMHMPNLSA-N
• XLogP: 21.48
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
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'}

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).