7-[(4-chlorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine

C23H20ClFN2O — CID 11495715

About 7-[(4-chlorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine

7-[(4-chlorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine (PubChem CID 11495715) has the molecular formula C23H20ClFN2O and a molecular weight of 394.88 g/mol. Its IUPAC name is 7-[(4-chlorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine.

Molecular Properties

• Compound Name: 7-[(4-chlorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
• PubChem CID: 11495715
• Molecular Formula: C23H20ClFN2O
• Molecular Weight: 394.88 g/mol
• Exact Mass: 394.12
• IUPAC Name: 7-[(4-chlorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
• SMILES: Cc1c(C)n(Cc2ccc(F)cc2)c2c(COc3ccc(Cl)cc3)nccc12
• InChI: InChI=1S/C23H20ClFN2O/c1-15-16(2)27(13-17-3-7-19(25)8-4-17)23-21(15)11-12-26-22(23)14-28-20-9-5-18(24)6-10-20/h3-12H,13-14H2,1-2H3
• InChIKey: MCPDGFZLMREFTG-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 27.05 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.88
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 7-[(4-chlorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine?

The IUPAC name of 7-[(4-chlorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine (CID 11495715) is 7-[(4-chlorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine.

What is the SMILES notation for 7-[(4-chlorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine?

The canonical SMILES for 7-[(4-chlorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine is Cc1c(C)n(Cc2ccc(F)cc2)c2c(COc3ccc(Cl)cc3)nccc12.

What is the InChIKey of 7-[(4-chlorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine?

The InChIKey is MCPDGFZLMREFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O/c1-15-16(2)27(13-17-3-7-19(25)8-4-17)23-21(15)11-12-26-22(23)14-28-20-9-5-18(24)6-10-20/h3-12H,13-14H2,1-2H3.

What are the key properties of 7-[(4-chlorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine?

7-[(4-chlorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine has a molecular weight of 394.88 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(4-chlorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 11495715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).