2,5-dimethylfuran;2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;2,5-dimethyl-1-phenylpyrrole;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2-methyl-4-(6-methyl-3-pyridinyl)pyridine;2-methyl-5-(4-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-3-pyridinyl)pyridine

C77H83F3N10O3 — CID 158490544

About 2,5-dimethylfuran;2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;2,5-dimethyl-1-phenylpyrrole;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2-methyl-4-(6-methyl-3-pyridinyl)pyridine;2-methyl-5-(4-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-3-pyridinyl)pyridine

2,5-dimethylfuran;2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;2,5-dimethyl-1-phenylpyrrole;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2-methyl-4-(6-methyl-3-pyridinyl)pyridine;2-methyl-5-(4-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-3-pyridinyl)pyridine (PubChem CID 158490544) has the molecular formula C77H83F3N10O3 and a molecular weight of 1253.57 g/mol. Its IUPAC name is 2,5-dimethylfuran;2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;2,5-dimethyl-1-phenylpyrrole;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2-methyl-4-(6-methyl-3-pyridinyl)pyridine;2-methyl-5-(4-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-3-pyridinyl)pyridine.

Molecular Properties

• Compound Name: 2,5-dimethylfuran;2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;2,5-dimethyl-1-phenylpyrrole;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2-methyl-4-(6-methyl-3-pyridinyl)pyridine;2-methyl-5-(4-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-3-pyridinyl)pyridine
• PubChem CID: 158490544
• Molecular Formula: C77H83F3N10O3
• Molecular Weight: 1253.57 g/mol
• Exact Mass: 1252.66
• IUPAC Name: 2,5-dimethylfuran;2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;2,5-dimethyl-1-phenylpyrrole;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2-methyl-4-(6-methyl-3-pyridinyl)pyridine;2-methyl-5-(4-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-3-pyridinyl)pyridine
• SMILES: Cc1cc(-c2ccccc2)oc1C.Cc1ccc(-c2ccnc(C)c2)cn1.Cc1ccc(C)n1-c1ccccc1.Cc1ccc(C)n1C(F)(F)F.Cc1ccc(C)o1.Cc1ccnc(-c2ccc(C)nc2)c1.Cc1cncc(-c2ccc(C)nc2)c1.Cc1nnc(C)o1
• InChI: InChI=1S/3C12H12N2.C12H13N.C12H12O.C7H8F3N.C6H8O.C4H6N2O/c1-9-5-12(7-13-6-9)11-4-3-10(2)14-8-11;1-9-5-6-13-12(7-9)11-4-3-10(2)14-8-11;1-9-3-4-12(8-14-9)11-5-6-13-10(2)7-11;1-10-8-9-11(2)13(10)12-6-4-3-5-7-12;1-9-8-12(13-10(9)2)11-6-4-3-5-7-11;1-5-3-4-6(2)11(5)7(8,9)10;1-5-3-4-6(2)7-5;1-3-5-6-4(2)7-3/h3*3-8H,1-2H3;3-9H,1-2H3;3-8H,1-2H3;3-4H,1-2H3;3-4H,1-2H3;1-2H3
• InChIKey: HIQGWOPDHOMSCC-UHFFFAOYSA-N
• XLogP: 20.10
• TPSA: 152.40 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1253.57
LogP ≤ 5	20.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylfuran;2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;2,5-dimethyl-1-phenylpyrrole;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2-methyl-4-(6-methyl-3-pyridinyl)pyridine;2-methyl-5-(4-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-3-pyridinyl)pyridine?

The IUPAC name of 2,5-dimethylfuran;2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;2,5-dimethyl-1-phenylpyrrole;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2-methyl-4-(6-methyl-3-pyridinyl)pyridine;2-methyl-5-(4-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-3-pyridinyl)pyridine (CID 158490544) is 2,5-dimethylfuran;2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;2,5-dimethyl-1-phenylpyrrole;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2-methyl-4-(6-methyl-3-pyridinyl)pyridine;2-methyl-5-(4-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-3-pyridinyl)pyridine.

What is the SMILES notation for 2,5-dimethylfuran;2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;2,5-dimethyl-1-phenylpyrrole;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2-methyl-4-(6-methyl-3-pyridinyl)pyridine;2-methyl-5-(4-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-3-pyridinyl)pyridine?

The canonical SMILES for 2,5-dimethylfuran;2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;2,5-dimethyl-1-phenylpyrrole;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2-methyl-4-(6-methyl-3-pyridinyl)pyridine;2-methyl-5-(4-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-3-pyridinyl)pyridine is Cc1cc(-c2ccccc2)oc1C.Cc1ccc(-c2ccnc(C)c2)cn1.Cc1ccc(C)n1-c1ccccc1.Cc1ccc(C)n1C(F)(F)F.Cc1ccc(C)o1.Cc1ccnc(-c2ccc(C)nc2)c1.Cc1cncc(-c2ccc(C)nc2)c1.Cc1nnc(C)o1.

What is the InChIKey of 2,5-dimethylfuran;2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;2,5-dimethyl-1-phenylpyrrole;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2-methyl-4-(6-methyl-3-pyridinyl)pyridine;2-methyl-5-(4-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-3-pyridinyl)pyridine?

The InChIKey is HIQGWOPDHOMSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H12N2.C12H13N.C12H12O.C7H8F3N.C6H8O.C4H6N2O/c1-9-5-12(7-13-6-9)11-4-3-10(2)14-8-11;1-9-5-6-13-12(7-9)11-4-3-10(2)14-8-11;1-9-3-4-12(8-14-9)11-5-6-13-10(2)7-11;1-10-8-9-11(2)13(10)12-6-4-3-5-7-12;1-9-8-12(13-10(9)2)11-6-4-3-5-7-11;1-5-3-4-6(2)11(5)7(8,9)10;1-5-3-4-6(2)7-5;1-3-5-6-4(2)7-3/h3*3-8H,1-2H3;3-9H,1-2H3;3-8H,1-2H3;3-4H,1-2H3;3-4H,1-2H3;1-2H3.

What are the key properties of 2,5-dimethylfuran;2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;2,5-dimethyl-1-phenylpyrrole;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2-methyl-4-(6-methyl-3-pyridinyl)pyridine;2-methyl-5-(4-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-3-pyridinyl)pyridine?

2,5-dimethylfuran;2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;2,5-dimethyl-1-phenylpyrrole;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2-methyl-4-(6-methyl-3-pyridinyl)pyridine;2-methyl-5-(4-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-3-pyridinyl)pyridine has a molecular weight of 1253.57 g/mol, XLogP of 20.10, 5 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethylfuran;2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;2,5-dimethyl-1-phenylpyrrole;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2-methyl-4-(6-methyl-3-pyridinyl)pyridine;2-methyl-5-(4-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-3-pyridinyl)pyridine is sourced from PubChem (CID 158490544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).