5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;2-methylfuro[2,3-b]pyridine;3-methylfuro[2,3-b]pyridine;5-methylisoquinoline;2-methylnaphthalene;6-methylnaphthalen-2-ol;3-methyl-1,5-naphthyridine;5-methylpyrimidin-2-amine;2-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2-methylthieno[2,3-b]pyridine;3-methylthieno[2,3-b]pyridine

C150H136F3N19O4S3 — CID 162167235

About 5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;2-methylfuro[2,3-b]pyridine;3-methylfuro[2,3-b]pyridine;5-methylisoquinoline;2-methylnaphthalene;6-methylnaphthalen-2-ol;3-methyl-1,5-naphthyridine;5-methylpyrimidin-2-amine;2-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2-methylthieno[2,3-b]pyridine;3-methylthieno[2,3-b]pyridine

5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;2-methylfuro[2,3-b]pyridine;3-methylfuro[2,3-b]pyridine;5-methylisoquinoline;2-methylnaphthalene;6-methylnaphthalen-2-ol;3-methyl-1,5-naphthyridine;5-methylpyrimidin-2-amine;2-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2-methylthieno[2,3-b]pyridine;3-methylthieno[2,3-b]pyridine (PubChem CID 162167235) has the molecular formula C150H136F3N19O4S3 and a molecular weight of 2422.06 g/mol. Its IUPAC name is 5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;2-methylfuro[2,3-b]pyridine;3-methylfuro[2,3-b]pyridine;5-methylisoquinoline;2-methylnaphthalene;6-methylnaphthalen-2-ol;3-methyl-1,5-naphthyridine;5-methylpyrimidin-2-amine;2-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2-methylthieno[2,3-b]pyridine;3-methylthieno[2,3-b]pyridine.

Molecular Properties

• Compound Name: 5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;2-methylfuro[2,3-b]pyridine;3-methylfuro[2,3-b]pyridine;5-methylisoquinoline;2-methylnaphthalene;6-methylnaphthalen-2-ol;3-methyl-1,5-naphthyridine;5-methylpyrimidin-2-amine;2-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2-methylthieno[2,3-b]pyridine;3-methylthieno[2,3-b]pyridine
• PubChem CID: 162167235
• Molecular Formula: C150H136F3N19O4S3
• Molecular Weight: 2422.06 g/mol
• Exact Mass: 2420.01
• IUPAC Name: 5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;2-methylfuro[2,3-b]pyridine;3-methylfuro[2,3-b]pyridine;5-methylisoquinoline;2-methylnaphthalene;6-methylnaphthalen-2-ol;3-methyl-1,5-naphthyridine;5-methylpyrimidin-2-amine;2-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2-methylthieno[2,3-b]pyridine;3-methylthieno[2,3-b]pyridine
• SMILES: Cc1c[nH]c2ncccc12.Cc1cc2cc(F)ccc2[nH]1.Cc1cc2cc(F)ccc2o1.Cc1cc2cc(F)ccc2s1.Cc1cc2cccnc2[nH]1.Cc1cc2cccnc2o1.Cc1cc2cccnc2s1.Cc1ccc2cc(O)ccc2c1.Cc1ccc2ccccc2c1.Cc1ccc2cccnc2c1.Cc1ccc2ncccc2c1.Cc1ccc2nccnc2c1.Cc1cccc2cnccc12.Cc1cnc(N)nc1.Cc1cnc2cccnc2c1.Cc1coc2ncccc12.Cc1csc2ncccc12
• InChI: InChI=1S/C11H10O.C11H10.3C10H9N.C9H8FN.C9H7FO.C9H7FS.2C9H8N2.2C8H8N2.2C8H7NO.2C8H7NS.C5H7N3/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-3-2-4-9-7-11-6-5-10(8)9;3*1-6-4-7-5-8(10)2-3-9(7)11-6;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-5-9-8(11-6-7)3-2-4-10-9;1-6-5-10-8-7(6)3-2-4-9-8;1-6-5-7-3-2-4-9-8(7)10-6;1-6-5-10-8-7(6)3-2-4-9-8;1-6-5-7-3-2-4-9-8(7)10-6;1-6-5-10-8-7(6)3-2-4-9-8;1-6-5-7-3-2-4-9-8(7)10-6;1-4-2-7-5(6)8-3-4/h2-7,12H,1H3;2-8H,1H3;3*2-7H,1H3;2-5,11H,1H3;2*2-5H,1H3;2*2-6H,1H3;2*2-5H,1H3,(H,9,10);4*2-5H,1H3;2-3H,1H3,(H2,6,7,8)
• InChIKey: ZNHHMJFCUJFTPC-UHFFFAOYSA-N
• XLogP: 39.94
• TPSA: 326.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2422.06
LogP ≤ 5	39.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;2-methylfuro[2,3-b]pyridine;3-methylfuro[2,3-b]pyridine;5-methylisoquinoline;2-methylnaphthalene;6-methylnaphthalen-2-ol;3-methyl-1,5-naphthyridine;5-methylpyrimidin-2-amine;2-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2-methylthieno[2,3-b]pyridine;3-methylthieno[2,3-b]pyridine?

The IUPAC name of 5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;2-methylfuro[2,3-b]pyridine;3-methylfuro[2,3-b]pyridine;5-methylisoquinoline;2-methylnaphthalene;6-methylnaphthalen-2-ol;3-methyl-1,5-naphthyridine;5-methylpyrimidin-2-amine;2-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2-methylthieno[2,3-b]pyridine;3-methylthieno[2,3-b]pyridine (CID 162167235) is 5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;2-methylfuro[2,3-b]pyridine;3-methylfuro[2,3-b]pyridine;5-methylisoquinoline;2-methylnaphthalene;6-methylnaphthalen-2-ol;3-methyl-1,5-naphthyridine;5-methylpyrimidin-2-amine;2-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2-methylthieno[2,3-b]pyridine;3-methylthieno[2,3-b]pyridine.

What is the SMILES notation for 5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;2-methylfuro[2,3-b]pyridine;3-methylfuro[2,3-b]pyridine;5-methylisoquinoline;2-methylnaphthalene;6-methylnaphthalen-2-ol;3-methyl-1,5-naphthyridine;5-methylpyrimidin-2-amine;2-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2-methylthieno[2,3-b]pyridine;3-methylthieno[2,3-b]pyridine?

The canonical SMILES for 5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;2-methylfuro[2,3-b]pyridine;3-methylfuro[2,3-b]pyridine;5-methylisoquinoline;2-methylnaphthalene;6-methylnaphthalen-2-ol;3-methyl-1,5-naphthyridine;5-methylpyrimidin-2-amine;2-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2-methylthieno[2,3-b]pyridine;3-methylthieno[2,3-b]pyridine is Cc1c[nH]c2ncccc12.Cc1cc2cc(F)ccc2[nH]1.Cc1cc2cc(F)ccc2o1.Cc1cc2cc(F)ccc2s1.Cc1cc2cccnc2[nH]1.Cc1cc2cccnc2o1.Cc1cc2cccnc2s1.Cc1ccc2cc(O)ccc2c1.Cc1ccc2ccccc2c1.Cc1ccc2cccnc2c1.Cc1ccc2ncccc2c1.Cc1ccc2nccnc2c1.Cc1cccc2cnccc12.Cc1cnc(N)nc1.Cc1cnc2cccnc2c1.Cc1coc2ncccc12.Cc1csc2ncccc12.

What is the InChIKey of 5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;2-methylfuro[2,3-b]pyridine;3-methylfuro[2,3-b]pyridine;5-methylisoquinoline;2-methylnaphthalene;6-methylnaphthalen-2-ol;3-methyl-1,5-naphthyridine;5-methylpyrimidin-2-amine;2-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2-methylthieno[2,3-b]pyridine;3-methylthieno[2,3-b]pyridine?

The InChIKey is ZNHHMJFCUJFTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O.C11H10.3C10H9N.C9H8FN.C9H7FO.C9H7FS.2C9H8N2.2C8H8N2.2C8H7NO.2C8H7NS.C5H7N3/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-3-2-4-9-7-11-6-5-10(8)9;3*1-6-4-7-5-8(10)2-3-9(7)11-6;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-5-9-8(11-6-7)3-2-4-10-9;1-6-5-10-8-7(6)3-2-4-9-8;1-6-5-7-3-2-4-9-8(7)10-6;1-6-5-10-8-7(6)3-2-4-9-8;1-6-5-7-3-2-4-9-8(7)10-6;1-6-5-10-8-7(6)3-2-4-9-8;1-6-5-7-3-2-4-9-8(7)10-6;1-4-2-7-5(6)8-3-4/h2-7,12H,1H3;2-8H,1H3;3*2-7H,1H3;2-5,11H,1H3;2*2-5H,1H3;2*2-6H,1H3;2*2-5H,1H3,(H,9,10);4*2-5H,1H3;2-3H,1H3,(H2,6,7,8).

What are the key properties of 5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;2-methylfuro[2,3-b]pyridine;3-methylfuro[2,3-b]pyridine;5-methylisoquinoline;2-methylnaphthalene;6-methylnaphthalen-2-ol;3-methyl-1,5-naphthyridine;5-methylpyrimidin-2-amine;2-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2-methylthieno[2,3-b]pyridine;3-methylthieno[2,3-b]pyridine?

5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;2-methylfuro[2,3-b]pyridine;3-methylfuro[2,3-b]pyridine;5-methylisoquinoline;2-methylnaphthalene;6-methylnaphthalen-2-ol;3-methyl-1,5-naphthyridine;5-methylpyrimidin-2-amine;2-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2-methylthieno[2,3-b]pyridine;3-methylthieno[2,3-b]pyridine has a molecular weight of 2422.06 g/mol, XLogP of 39.94, 0 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;2-methylfuro[2,3-b]pyridine;3-methylfuro[2,3-b]pyridine;5-methylisoquinoline;2-methylnaphthalene;6-methylnaphthalen-2-ol;3-methyl-1,5-naphthyridine;5-methylpyrimidin-2-amine;2-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2-methylthieno[2,3-b]pyridine;3-methylthieno[2,3-b]pyridine is sourced from PubChem (CID 162167235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).