5-[(3-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid

C16H17FN2O2 — CID 155926291

About 5-[(3-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid

5-[(3-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid (PubChem CID 155926291) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[(3-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
• PubChem CID: 155926291
• Molecular Formula: C16H17FN2O2
• Molecular Weight: 288.32 g/mol
• Exact Mass: 288.13
• IUPAC Name: 5-[(3-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
• SMILES: Cn1c(C(=O)O)cc2c1CCN(Cc1cccc(F)c1)C2
• InChI: InChI=1S/C16H17FN2O2/c1-18-14-5-6-19(9-11-3-2-4-13(17)7-11)10-12(14)8-15(18)16(20)21/h2-4,7-8H,5-6,9-10H2,1H3,(H,20,21)
• InChIKey: JPGQNLUCMNFMBY-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 45.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.32
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?

The IUPAC name of 5-[(3-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid (CID 155926291) is 5-[(3-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid.

What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?

The canonical SMILES for 5-[(3-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid is Cn1c(C(=O)O)cc2c1CCN(Cc1cccc(F)c1)C2.

What is the InChIKey of 5-[(3-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?

The InChIKey is JPGQNLUCMNFMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-18-14-5-6-19(9-11-3-2-4-13(17)7-11)10-12(14)8-15(18)16(20)21/h2-4,7-8H,5-6,9-10H2,1H3,(H,20,21).

What are the key properties of 5-[(3-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?

5-[(3-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 288.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 155926291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).