1,3-difluoro-2-methylbenzene;1,5-dimethylpyrrolo[2,3-b]pyridine;2-methoxy-5-methylpyrazine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;6-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-2,3-dihydrofuro[3,2-b]pyridine;5-methyl-1H-indole;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-(trifluoromethyl)pyridine;toluene

C84H90F5N13O4 — CID 164992476

About 1,3-difluoro-2-methylbenzene;1,5-dimethylpyrrolo[2,3-b]pyridine;2-methoxy-5-methylpyrazine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;6-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-2,3-dihydrofuro[3,2-b]pyridine;5-methyl-1H-indole;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-(trifluoromethyl)pyridine;toluene

1,3-difluoro-2-methylbenzene;1,5-dimethylpyrrolo[2,3-b]pyridine;2-methoxy-5-methylpyrazine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;6-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-2,3-dihydrofuro[3,2-b]pyridine;5-methyl-1H-indole;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-(trifluoromethyl)pyridine;toluene (PubChem CID 164992476) has the molecular formula C84H90F5N13O4 and a molecular weight of 1440.72 g/mol. Its IUPAC name is 1,3-difluoro-2-methylbenzene;1,5-dimethylpyrrolo[2,3-b]pyridine;2-methoxy-5-methylpyrazine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;6-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-2,3-dihydrofuro[3,2-b]pyridine;5-methyl-1H-indole;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-(trifluoromethyl)pyridine;toluene.

Molecular Properties

• Compound Name: 1,3-difluoro-2-methylbenzene;1,5-dimethylpyrrolo[2,3-b]pyridine;2-methoxy-5-methylpyrazine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;6-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-2,3-dihydrofuro[3,2-b]pyridine;5-methyl-1H-indole;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-(trifluoromethyl)pyridine;toluene
• PubChem CID: 164992476
• Molecular Formula: C84H90F5N13O4
• Molecular Weight: 1440.72 g/mol
• Exact Mass: 1439.72
• IUPAC Name: 1,3-difluoro-2-methylbenzene;1,5-dimethylpyrrolo[2,3-b]pyridine;2-methoxy-5-methylpyrazine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;6-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-2,3-dihydrofuro[3,2-b]pyridine;5-methyl-1H-indole;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-(trifluoromethyl)pyridine;toluene
• SMILES: COc1ccc(C)cn1.COc1cnc(C)cn1.Cc1c(F)cccc1F.Cc1ccc(C(F)(F)F)nc1.Cc1ccc2[nH]ccc2c1.Cc1ccc2nc[nH]c2c1.Cc1ccccc1.Cc1ccnc2c1OCC2.Cc1cnc2[nH]ccc2c1.Cc1cnc2c(c1)OCC2.Cc1cnc2c(ccn2C)c1
• InChI: InChI=1S/C9H10N2.C9H9N.2C8H8N2.2C8H9NO.C7H6F3N.C7H6F2.C7H9NO.C7H8.C6H8N2O/c1-7-5-8-3-4-11(2)9(8)10-6-7;1-7-2-3-9-8(6-7)4-5-10-9;1-6-4-7-2-3-9-8(7)10-5-6;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-4-9-7-3-5-10-8(6)7;1-6-4-8-7(9-5-6)2-3-10-8;1-5-2-3-6(11-4-5)7(8,9)10;1-5-6(8)3-2-4-7(5)9;1-6-3-4-7(9-2)8-5-6;1-7-5-3-2-4-6-7;1-5-3-8-6(9-2)4-7-5/h3-6H,1-2H3;2-6,10H,1H3;2*2-5H,1H3,(H,9,10);2,4H,3,5H2,1H3;4-5H,2-3H2,1H3;2-4H,1H3;2-4H,1H3;3-5H,1-2H3;2-6H,1H3;3-4H,1-2H3
• InChIKey: HBBHGLIFLLNNOU-UHFFFAOYSA-N
• XLogP: 19.62
• TPSA: 205.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 2
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1440.72
LogP ≤ 5	19.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-methylbenzene;1,5-dimethylpyrrolo[2,3-b]pyridine;2-methoxy-5-methylpyrazine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;6-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-2,3-dihydrofuro[3,2-b]pyridine;5-methyl-1H-indole;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-(trifluoromethyl)pyridine;toluene?

The IUPAC name of 1,3-difluoro-2-methylbenzene;1,5-dimethylpyrrolo[2,3-b]pyridine;2-methoxy-5-methylpyrazine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;6-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-2,3-dihydrofuro[3,2-b]pyridine;5-methyl-1H-indole;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-(trifluoromethyl)pyridine;toluene (CID 164992476) is 1,3-difluoro-2-methylbenzene;1,5-dimethylpyrrolo[2,3-b]pyridine;2-methoxy-5-methylpyrazine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;6-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-2,3-dihydrofuro[3,2-b]pyridine;5-methyl-1H-indole;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-(trifluoromethyl)pyridine;toluene.

What is the SMILES notation for 1,3-difluoro-2-methylbenzene;1,5-dimethylpyrrolo[2,3-b]pyridine;2-methoxy-5-methylpyrazine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;6-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-2,3-dihydrofuro[3,2-b]pyridine;5-methyl-1H-indole;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-(trifluoromethyl)pyridine;toluene?

The canonical SMILES for 1,3-difluoro-2-methylbenzene;1,5-dimethylpyrrolo[2,3-b]pyridine;2-methoxy-5-methylpyrazine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;6-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-2,3-dihydrofuro[3,2-b]pyridine;5-methyl-1H-indole;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-(trifluoromethyl)pyridine;toluene is COc1ccc(C)cn1.COc1cnc(C)cn1.Cc1c(F)cccc1F.Cc1ccc(C(F)(F)F)nc1.Cc1ccc2[nH]ccc2c1.Cc1ccc2nc[nH]c2c1.Cc1ccccc1.Cc1ccnc2c1OCC2.Cc1cnc2[nH]ccc2c1.Cc1cnc2c(c1)OCC2.Cc1cnc2c(ccn2C)c1.

What is the InChIKey of 1,3-difluoro-2-methylbenzene;1,5-dimethylpyrrolo[2,3-b]pyridine;2-methoxy-5-methylpyrazine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;6-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-2,3-dihydrofuro[3,2-b]pyridine;5-methyl-1H-indole;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-(trifluoromethyl)pyridine;toluene?

The InChIKey is HBBHGLIFLLNNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C9H9N.2C8H8N2.2C8H9NO.C7H6F3N.C7H6F2.C7H9NO.C7H8.C6H8N2O/c1-7-5-8-3-4-11(2)9(8)10-6-7;1-7-2-3-9-8(6-7)4-5-10-9;1-6-4-7-2-3-9-8(7)10-5-6;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-4-9-7-3-5-10-8(6)7;1-6-4-8-7(9-5-6)2-3-10-8;1-5-2-3-6(11-4-5)7(8,9)10;1-5-6(8)3-2-4-7(5)9;1-6-3-4-7(9-2)8-5-6;1-7-5-3-2-4-6-7;1-5-3-8-6(9-2)4-7-5/h3-6H,1-2H3;2-6,10H,1H3;2*2-5H,1H3,(H,9,10);2,4H,3,5H2,1H3;4-5H,2-3H2,1H3;2-4H,1H3;2-4H,1H3;3-5H,1-2H3;2-6H,1H3;3-4H,1-2H3.

What are the key properties of 1,3-difluoro-2-methylbenzene;1,5-dimethylpyrrolo[2,3-b]pyridine;2-methoxy-5-methylpyrazine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;6-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-2,3-dihydrofuro[3,2-b]pyridine;5-methyl-1H-indole;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-(trifluoromethyl)pyridine;toluene?

1,3-difluoro-2-methylbenzene;1,5-dimethylpyrrolo[2,3-b]pyridine;2-methoxy-5-methylpyrazine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;6-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-2,3-dihydrofuro[3,2-b]pyridine;5-methyl-1H-indole;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-(trifluoromethyl)pyridine;toluene has a molecular weight of 1440.72 g/mol, XLogP of 19.62, 2 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-difluoro-2-methylbenzene;1,5-dimethylpyrrolo[2,3-b]pyridine;2-methoxy-5-methylpyrazine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;6-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-2,3-dihydrofuro[3,2-b]pyridine;5-methyl-1H-indole;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-(trifluoromethyl)pyridine;toluene is sourced from PubChem (CID 164992476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).