bis(2,4-dimethylpyridine);4-(5,6-dimethyl-2-pyridinyl)-2-methylmorpholine;2,4-dimethyl-3-(trifluoromethyl)pyridine;4-methoxypyridine-3-carbonitrile;2-methyl-3-prop-1-ynylpyridine;2-methyl-6-(trifluoromethoxy)pyridine

C57H65F6N9O3 — CID 158170505

About bis(2,4-dimethylpyridine);4-(5,6-dimethyl-2-pyridinyl)-2-methylmorpholine;2,4-dimethyl-3-(trifluoromethyl)pyridine;4-methoxypyridine-3-carbonitrile;2-methyl-3-prop-1-ynylpyridine;2-methyl-6-(trifluoromethoxy)pyridine

bis(2,4-dimethylpyridine);4-(5,6-dimethyl-2-pyridinyl)-2-methylmorpholine;2,4-dimethyl-3-(trifluoromethyl)pyridine;4-methoxypyridine-3-carbonitrile;2-methyl-3-prop-1-ynylpyridine;2-methyl-6-(trifluoromethoxy)pyridine (PubChem CID 158170505) has the molecular formula C57H65F6N9O3 and a molecular weight of 1038.19 g/mol. Its IUPAC name is bis(2,4-dimethylpyridine);4-(5,6-dimethyl-2-pyridinyl)-2-methylmorpholine;2,4-dimethyl-3-(trifluoromethyl)pyridine;4-methoxypyridine-3-carbonitrile;2-methyl-3-prop-1-ynylpyridine;2-methyl-6-(trifluoromethoxy)pyridine.

Molecular Properties

• Compound Name: bis(2,4-dimethylpyridine);4-(5,6-dimethyl-2-pyridinyl)-2-methylmorpholine;2,4-dimethyl-3-(trifluoromethyl)pyridine;4-methoxypyridine-3-carbonitrile;2-methyl-3-prop-1-ynylpyridine;2-methyl-6-(trifluoromethoxy)pyridine
• PubChem CID: 158170505
• Molecular Formula: C57H65F6N9O3
• Molecular Weight: 1038.19 g/mol
• Exact Mass: 1037.51
• IUPAC Name: bis(2,4-dimethylpyridine);4-(5,6-dimethyl-2-pyridinyl)-2-methylmorpholine;2,4-dimethyl-3-(trifluoromethyl)pyridine;4-methoxypyridine-3-carbonitrile;2-methyl-3-prop-1-ynylpyridine;2-methyl-6-(trifluoromethoxy)pyridine
• SMILES: CC#Cc1cccnc1C.COc1ccncc1C#N.Cc1ccc(N2CCOC(C)C2)nc1C.Cc1cccc(OC(F)(F)F)n1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1ccnc(C)c1C(F)(F)F
• InChI: InChI=1S/C12H18N2O.C9H9N.C8H8F3N.C7H6F3NO.C7H6N2O.2C7H9N/c1-9-4-5-12(13-11(9)3)14-6-7-15-10(2)8-14;1-3-5-9-6-4-7-10-8(9)2;1-5-3-4-12-6(2)7(5)8(9,10)11;1-5-3-2-4-6(11-5)12-7(8,9)10;1-10-7-2-3-9-5-6(7)4-8;2*1-6-3-4-8-7(2)5-6/h4-5,10H,6-8H2,1-3H3;4,6-7H,1-2H3;3-4H,1-2H3;2-4H,1H3;2-3,5H,1H3;2*3-5H,1-2H3
• InChIKey: FXJTUAMXDORWHI-UHFFFAOYSA-N
• XLogP: 13.05
• TPSA: 144.95 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 3
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1038.19
LogP ≤ 5	13.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2,4-dimethylpyridine);4-(5,6-dimethyl-2-pyridinyl)-2-methylmorpholine;2,4-dimethyl-3-(trifluoromethyl)pyridine;4-methoxypyridine-3-carbonitrile;2-methyl-3-prop-1-ynylpyridine;2-methyl-6-(trifluoromethoxy)pyridine?

The IUPAC name of bis(2,4-dimethylpyridine);4-(5,6-dimethyl-2-pyridinyl)-2-methylmorpholine;2,4-dimethyl-3-(trifluoromethyl)pyridine;4-methoxypyridine-3-carbonitrile;2-methyl-3-prop-1-ynylpyridine;2-methyl-6-(trifluoromethoxy)pyridine (CID 158170505) is bis(2,4-dimethylpyridine);4-(5,6-dimethyl-2-pyridinyl)-2-methylmorpholine;2,4-dimethyl-3-(trifluoromethyl)pyridine;4-methoxypyridine-3-carbonitrile;2-methyl-3-prop-1-ynylpyridine;2-methyl-6-(trifluoromethoxy)pyridine.

What is the SMILES notation for bis(2,4-dimethylpyridine);4-(5,6-dimethyl-2-pyridinyl)-2-methylmorpholine;2,4-dimethyl-3-(trifluoromethyl)pyridine;4-methoxypyridine-3-carbonitrile;2-methyl-3-prop-1-ynylpyridine;2-methyl-6-(trifluoromethoxy)pyridine?

The canonical SMILES for bis(2,4-dimethylpyridine);4-(5,6-dimethyl-2-pyridinyl)-2-methylmorpholine;2,4-dimethyl-3-(trifluoromethyl)pyridine;4-methoxypyridine-3-carbonitrile;2-methyl-3-prop-1-ynylpyridine;2-methyl-6-(trifluoromethoxy)pyridine is CC#Cc1cccnc1C.COc1ccncc1C#N.Cc1ccc(N2CCOC(C)C2)nc1C.Cc1cccc(OC(F)(F)F)n1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1ccnc(C)c1C(F)(F)F.

What is the InChIKey of bis(2,4-dimethylpyridine);4-(5,6-dimethyl-2-pyridinyl)-2-methylmorpholine;2,4-dimethyl-3-(trifluoromethyl)pyridine;4-methoxypyridine-3-carbonitrile;2-methyl-3-prop-1-ynylpyridine;2-methyl-6-(trifluoromethoxy)pyridine?

The InChIKey is FXJTUAMXDORWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.C9H9N.C8H8F3N.C7H6F3NO.C7H6N2O.2C7H9N/c1-9-4-5-12(13-11(9)3)14-6-7-15-10(2)8-14;1-3-5-9-6-4-7-10-8(9)2;1-5-3-4-12-6(2)7(5)8(9,10)11;1-5-3-2-4-6(11-5)12-7(8,9)10;1-10-7-2-3-9-5-6(7)4-8;2*1-6-3-4-8-7(2)5-6/h4-5,10H,6-8H2,1-3H3;4,6-7H,1-2H3;3-4H,1-2H3;2-4H,1H3;2-3,5H,1H3;2*3-5H,1-2H3.

What are the key properties of bis(2,4-dimethylpyridine);4-(5,6-dimethyl-2-pyridinyl)-2-methylmorpholine;2,4-dimethyl-3-(trifluoromethyl)pyridine;4-methoxypyridine-3-carbonitrile;2-methyl-3-prop-1-ynylpyridine;2-methyl-6-(trifluoromethoxy)pyridine?

bis(2,4-dimethylpyridine);4-(5,6-dimethyl-2-pyridinyl)-2-methylmorpholine;2,4-dimethyl-3-(trifluoromethyl)pyridine;4-methoxypyridine-3-carbonitrile;2-methyl-3-prop-1-ynylpyridine;2-methyl-6-(trifluoromethoxy)pyridine has a molecular weight of 1038.19 g/mol, XLogP of 13.05, 3 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,4-dimethylpyridine);4-(5,6-dimethyl-2-pyridinyl)-2-methylmorpholine;2,4-dimethyl-3-(trifluoromethyl)pyridine;4-methoxypyridine-3-carbonitrile;2-methyl-3-prop-1-ynylpyridine;2-methyl-6-(trifluoromethoxy)pyridine is sourced from PubChem (CID 158170505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).