2,6-dimethylpyridine;5-fluoro-2-methylpyridine;methane;5-methoxy-2-methylpyridine;1-methylcyclopenta-1,3-diene;tris(2-methylpyridine);4-methylpyridine;4-(6-methyl-3-pyridinyl)morpholine;3-methyl-2H-pyrrole;2-methyl-6-(trifluoromethyl)pyridine;toluene

C80H99F4N11O2 — CID 159890744

About 2,6-dimethylpyridine;5-fluoro-2-methylpyridine;methane;5-methoxy-2-methylpyridine;1-methylcyclopenta-1,3-diene;tris(2-methylpyridine);4-methylpyridine;4-(6-methyl-3-pyridinyl)morpholine;3-methyl-2H-pyrrole;2-methyl-6-(trifluoromethyl)pyridine;toluene

2,6-dimethylpyridine;5-fluoro-2-methylpyridine;methane;5-methoxy-2-methylpyridine;1-methylcyclopenta-1,3-diene;tris(2-methylpyridine);4-methylpyridine;4-(6-methyl-3-pyridinyl)morpholine;3-methyl-2H-pyrrole;2-methyl-6-(trifluoromethyl)pyridine;toluene (PubChem CID 159890744) has the molecular formula C80H99F4N11O2 and a molecular weight of 1322.74 g/mol. Its IUPAC name is 2,6-dimethylpyridine;5-fluoro-2-methylpyridine;methane;5-methoxy-2-methylpyridine;1-methylcyclopenta-1,3-diene;tris(2-methylpyridine);4-methylpyridine;4-(6-methyl-3-pyridinyl)morpholine;3-methyl-2H-pyrrole;2-methyl-6-(trifluoromethyl)pyridine;toluene.

Molecular Properties

• Compound Name: 2,6-dimethylpyridine;5-fluoro-2-methylpyridine;methane;5-methoxy-2-methylpyridine;1-methylcyclopenta-1,3-diene;tris(2-methylpyridine);4-methylpyridine;4-(6-methyl-3-pyridinyl)morpholine;3-methyl-2H-pyrrole;2-methyl-6-(trifluoromethyl)pyridine;toluene
• PubChem CID: 159890744
• Molecular Formula: C80H99F4N11O2
• Molecular Weight: 1322.74 g/mol
• Exact Mass: 1321.79
• IUPAC Name: 2,6-dimethylpyridine;5-fluoro-2-methylpyridine;methane;5-methoxy-2-methylpyridine;1-methylcyclopenta-1,3-diene;tris(2-methylpyridine);4-methylpyridine;4-(6-methyl-3-pyridinyl)morpholine;3-methyl-2H-pyrrole;2-methyl-6-(trifluoromethyl)pyridine;toluene
• SMILES: C.CC1=CC=CC1.CC1=CC=NC1.COc1ccc(C)nc1.Cc1ccc(F)cn1.Cc1ccc(N2CCOCC2)cn1.Cc1cccc(C(F)(F)F)n1.Cc1cccc(C)n1.Cc1ccccc1.Cc1ccccn1.Cc1ccccn1.Cc1ccccn1.Cc1ccncc1
• InChI: InChI=1S/C10H14N2O.C7H6F3N.C7H9NO.C7H9N.C7H8.C6H6FN.4C6H7N.C6H8.C5H7N.CH4/c1-9-2-3-10(8-11-9)12-4-6-13-7-5-12;1-5-3-2-4-6(11-5)7(8,9)10;1-6-3-4-7(9-2)5-8-6;1-6-4-3-5-7(2)8-6;1-7-5-3-2-4-6-7;1-5-2-3-6(7)4-8-5;1-6-2-4-7-5-3-6;3*1-6-4-2-3-5-7-6;1-6-4-2-3-5-6;1-5-2-3-6-4-5;/h2-3,8H,4-7H2,1H3;2-4H,1H3;3-5H,1-2H3;3-5H,1-2H3;2-6H,1H3;2-4H,1H3;4*2-5H,1H3;2-4H,5H2,1H3;2-3H,4H2,1H3;1H4
• InChIKey: NUSIMRLGFSZFAV-UHFFFAOYSA-N
• XLogP: 19.36
• TPSA: 150.07 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 2
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1322.74
LogP ≤ 5	19.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylpyridine;5-fluoro-2-methylpyridine;methane;5-methoxy-2-methylpyridine;1-methylcyclopenta-1,3-diene;tris(2-methylpyridine);4-methylpyridine;4-(6-methyl-3-pyridinyl)morpholine;3-methyl-2H-pyrrole;2-methyl-6-(trifluoromethyl)pyridine;toluene?

The IUPAC name of 2,6-dimethylpyridine;5-fluoro-2-methylpyridine;methane;5-methoxy-2-methylpyridine;1-methylcyclopenta-1,3-diene;tris(2-methylpyridine);4-methylpyridine;4-(6-methyl-3-pyridinyl)morpholine;3-methyl-2H-pyrrole;2-methyl-6-(trifluoromethyl)pyridine;toluene (CID 159890744) is 2,6-dimethylpyridine;5-fluoro-2-methylpyridine;methane;5-methoxy-2-methylpyridine;1-methylcyclopenta-1,3-diene;tris(2-methylpyridine);4-methylpyridine;4-(6-methyl-3-pyridinyl)morpholine;3-methyl-2H-pyrrole;2-methyl-6-(trifluoromethyl)pyridine;toluene.

What is the SMILES notation for 2,6-dimethylpyridine;5-fluoro-2-methylpyridine;methane;5-methoxy-2-methylpyridine;1-methylcyclopenta-1,3-diene;tris(2-methylpyridine);4-methylpyridine;4-(6-methyl-3-pyridinyl)morpholine;3-methyl-2H-pyrrole;2-methyl-6-(trifluoromethyl)pyridine;toluene?

The canonical SMILES for 2,6-dimethylpyridine;5-fluoro-2-methylpyridine;methane;5-methoxy-2-methylpyridine;1-methylcyclopenta-1,3-diene;tris(2-methylpyridine);4-methylpyridine;4-(6-methyl-3-pyridinyl)morpholine;3-methyl-2H-pyrrole;2-methyl-6-(trifluoromethyl)pyridine;toluene is C.CC1=CC=CC1.CC1=CC=NC1.COc1ccc(C)nc1.Cc1ccc(F)cn1.Cc1ccc(N2CCOCC2)cn1.Cc1cccc(C(F)(F)F)n1.Cc1cccc(C)n1.Cc1ccccc1.Cc1ccccn1.Cc1ccccn1.Cc1ccccn1.Cc1ccncc1.

What is the InChIKey of 2,6-dimethylpyridine;5-fluoro-2-methylpyridine;methane;5-methoxy-2-methylpyridine;1-methylcyclopenta-1,3-diene;tris(2-methylpyridine);4-methylpyridine;4-(6-methyl-3-pyridinyl)morpholine;3-methyl-2H-pyrrole;2-methyl-6-(trifluoromethyl)pyridine;toluene?

The InChIKey is NUSIMRLGFSZFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.C7H6F3N.C7H9NO.C7H9N.C7H8.C6H6FN.4C6H7N.C6H8.C5H7N.CH4/c1-9-2-3-10(8-11-9)12-4-6-13-7-5-12;1-5-3-2-4-6(11-5)7(8,9)10;1-6-3-4-7(9-2)5-8-6;1-6-4-3-5-7(2)8-6;1-7-5-3-2-4-6-7;1-5-2-3-6(7)4-8-5;1-6-2-4-7-5-3-6;3*1-6-4-2-3-5-7-6;1-6-4-2-3-5-6;1-5-2-3-6-4-5;/h2-3,8H,4-7H2,1H3;2-4H,1H3;3-5H,1-2H3;3-5H,1-2H3;2-6H,1H3;2-4H,1H3;4*2-5H,1H3;2-4H,5H2,1H3;2-3H,4H2,1H3;1H4.

What are the key properties of 2,6-dimethylpyridine;5-fluoro-2-methylpyridine;methane;5-methoxy-2-methylpyridine;1-methylcyclopenta-1,3-diene;tris(2-methylpyridine);4-methylpyridine;4-(6-methyl-3-pyridinyl)morpholine;3-methyl-2H-pyrrole;2-methyl-6-(trifluoromethyl)pyridine;toluene?

2,6-dimethylpyridine;5-fluoro-2-methylpyridine;methane;5-methoxy-2-methylpyridine;1-methylcyclopenta-1,3-diene;tris(2-methylpyridine);4-methylpyridine;4-(6-methyl-3-pyridinyl)morpholine;3-methyl-2H-pyrrole;2-methyl-6-(trifluoromethyl)pyridine;toluene has a molecular weight of 1322.74 g/mol, XLogP of 19.36, 2 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethylpyridine;5-fluoro-2-methylpyridine;methane;5-methoxy-2-methylpyridine;1-methylcyclopenta-1,3-diene;tris(2-methylpyridine);4-methylpyridine;4-(6-methyl-3-pyridinyl)morpholine;3-methyl-2H-pyrrole;2-methyl-6-(trifluoromethyl)pyridine;toluene is sourced from PubChem (CID 159890744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).