2-tert-butyl-5-chloropyridine;3-tert-butyl-2,5-dichloropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-6-methoxy-2-methylpyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine

C101H144Cl3F4N11O3 — CID 158293694

About 2-tert-butyl-5-chloropyridine;3-tert-butyl-2,5-dichloropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-6-methoxy-2-methylpyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine

2-tert-butyl-5-chloropyridine;3-tert-butyl-2,5-dichloropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-6-methoxy-2-methylpyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine (PubChem CID 158293694) has the molecular formula C101H144Cl3F4N11O3 and a molecular weight of 1742.69 g/mol. Its IUPAC name is 2-tert-butyl-5-chloropyridine;3-tert-butyl-2,5-dichloropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-6-methoxy-2-methylpyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 2-tert-butyl-5-chloropyridine;3-tert-butyl-2,5-dichloropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-6-methoxy-2-methylpyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine
• PubChem CID: 158293694
• Molecular Formula: C101H144Cl3F4N11O3
• Molecular Weight: 1742.69 g/mol
• Exact Mass: 1740.05
• IUPAC Name: 2-tert-butyl-5-chloropyridine;3-tert-butyl-2,5-dichloropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-6-methoxy-2-methylpyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine
• SMILES: CC(C)(C)c1cc(Cl)cnc1Cl.CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1ccc(F)cn1.CC(C)(C)c1ccc(N2CCOCC2)nc1.COc1ccc(C(C)(C)C)c(C)n1.COc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1ccnc(C(C)(C)C)c1.Cc1ncccc1C(C)(C)C
• InChI: InChI=1S/C13H20N2O.C11H17NO.C10H12F3N.C10H15NO.3C10H15N.C9H11Cl2N.C9H12ClN.C9H12FN/c1-13(2,3)11-4-5-12(14-10-11)15-6-8-16-9-7-15;1-8-9(11(2,3)4)6-7-10(12-8)13-5;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-10(2,3)8-5-6-9(12-4)11-7-8;1-8-5-6-11-9(7-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8;1-9(2,3)7-4-6(10)5-12-8(7)11;2*1-9(2,3)8-5-4-7(10)6-11-8/h4-5,10H,6-9H2,1-3H3;6-7H,1-5H3;4-6H,1-3H3;5-7H,1-4H3;3*5-7H,1-4H3;4-5H,1-3H3;2*4-6H,1-3H3
• InChIKey: GLQSQQRPHGZOKN-UHFFFAOYSA-N
• XLogP: 28.00
• TPSA: 159.83 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 3
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1742.69
LogP ≤ 5	28.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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-5-chloropyridine;3-tert-butyl-2,5-dichloropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-6-methoxy-2-methylpyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine?

The IUPAC name of 2-tert-butyl-5-chloropyridine;3-tert-butyl-2,5-dichloropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-6-methoxy-2-methylpyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine (CID 158293694) is 2-tert-butyl-5-chloropyridine;3-tert-butyl-2,5-dichloropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-6-methoxy-2-methylpyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine.

What is the SMILES notation for 2-tert-butyl-5-chloropyridine;3-tert-butyl-2,5-dichloropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-6-methoxy-2-methylpyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine?

The canonical SMILES for 2-tert-butyl-5-chloropyridine;3-tert-butyl-2,5-dichloropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-6-methoxy-2-methylpyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine is CC(C)(C)c1cc(Cl)cnc1Cl.CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1ccc(F)cn1.CC(C)(C)c1ccc(N2CCOCC2)nc1.COc1ccc(C(C)(C)C)c(C)n1.COc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1ccnc(C(C)(C)C)c1.Cc1ncccc1C(C)(C)C.

What is the InChIKey of 2-tert-butyl-5-chloropyridine;3-tert-butyl-2,5-dichloropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-6-methoxy-2-methylpyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine?

The InChIKey is GLQSQQRPHGZOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.C11H17NO.C10H12F3N.C10H15NO.3C10H15N.C9H11Cl2N.C9H12ClN.C9H12FN/c1-13(2,3)11-4-5-12(14-10-11)15-6-8-16-9-7-15;1-8-9(11(2,3)4)6-7-10(12-8)13-5;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-10(2,3)8-5-6-9(12-4)11-7-8;1-8-5-6-11-9(7-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8;1-9(2,3)7-4-6(10)5-12-8(7)11;2*1-9(2,3)8-5-4-7(10)6-11-8/h4-5,10H,6-9H2,1-3H3;6-7H,1-5H3;4-6H,1-3H3;5-7H,1-4H3;3*5-7H,1-4H3;4-5H,1-3H3;2*4-6H,1-3H3.

What are the key properties of 2-tert-butyl-5-chloropyridine;3-tert-butyl-2,5-dichloropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-6-methoxy-2-methylpyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine?

2-tert-butyl-5-chloropyridine;3-tert-butyl-2,5-dichloropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-6-methoxy-2-methylpyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine has a molecular weight of 1742.69 g/mol, XLogP of 28.00, 3 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-chloropyridine;3-tert-butyl-2,5-dichloropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-6-methoxy-2-methylpyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 158293694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).