3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;methane

C67H116F3N7O5S — CID 162252296

About 3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;methane

3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;methane (PubChem CID 162252296) has the molecular formula C67H116F3N7O5S and a molecular weight of 1188.77 g/mol. Its IUPAC name is 3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;methane.

Molecular Properties

• Compound Name: 3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;methane
• PubChem CID: 162252296
• Molecular Formula: C67H116F3N7O5S
• Molecular Weight: 1188.77 g/mol
• Exact Mass: 1187.87
• IUPAC Name: 3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;methane
• SMILES: C.C.C.C.C.C.C.CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1cncc(CS(C)(=O)=O)c1.COc1cncc(C(C)(C)C)c1.COc1ncc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)ccc1=O
• InChI: InChI=1S/C11H17NO2S.C10H12F3N.2C10H15NO.C10H15N.C9H14N2O.7CH4/c1-11(2,3)10-5-9(6-12-7-10)8-15(4,13)14;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-10(2,3)8-5-9(12-4)7-11-6-8;1-10(2,3)8-5-6-9(12)11(4)7-8;1-8-5-6-9(7-11-8)10(2,3)4;1-9(2,3)7-5-10-8(12-4)11-6-7;;;;;;;/h5-7H,8H2,1-4H3;4-6H,1-3H3;2*5-7H,1-4H3;5-7H,1-4H3;5-6H,1-4H3;7*1H4
• InChIKey: ZYDIEEJWXPJBJK-UHFFFAOYSA-N
• XLogP: 18.32
• TPSA: 151.94 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1188.77
LogP ≤ 5	18.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;methane?

The IUPAC name of 3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;methane (CID 162252296) is 3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;methane.

What is the SMILES notation for 3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;methane?

The canonical SMILES for 3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;methane is C.C.C.C.C.C.C.CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1cncc(CS(C)(=O)=O)c1.COc1cncc(C(C)(C)C)c1.COc1ncc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)ccc1=O.

What is the InChIKey of 3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;methane?

The InChIKey is ZYDIEEJWXPJBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S.C10H12F3N.2C10H15NO.C10H15N.C9H14N2O.7CH4/c1-11(2,3)10-5-9(6-12-7-10)8-15(4,13)14;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-10(2,3)8-5-9(12-4)7-11-6-8;1-10(2,3)8-5-6-9(12)11(4)7-8;1-8-5-6-9(7-11-8)10(2,3)4;1-9(2,3)7-5-10-8(12-4)11-6-7;;;;;;;/h5-7H,8H2,1-4H3;4-6H,1-3H3;2*5-7H,1-4H3;5-7H,1-4H3;5-6H,1-4H3;7*1H4.

What are the key properties of 3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;methane?

3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;methane has a molecular weight of 1188.77 g/mol, XLogP of 18.32, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;methane is sourced from PubChem (CID 162252296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).