6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid

C23H15FN2O4 — CID 24851672

About 6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid

6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 24851672) has the molecular formula C23H15FN2O4 and a molecular weight of 402.38 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

• Compound Name: 6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
• PubChem CID: 24851672
• Molecular Formula: C23H15FN2O4
• Molecular Weight: 402.38 g/mol
• Exact Mass: 402.10
• IUPAC Name: 6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
• SMILES: O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3ccc2n1Cc1ccccc1F
• InChI: InChI=1S/C23H15FN2O4/c24-16-6-2-1-4-14(16)12-26-17-8-7-13-9-11-30-21(13)19(17)18(20(26)23(28)29)15-5-3-10-25-22(15)27/h1-11H,12H2,(H,25,27)(H,28,29)
• InChIKey: MBHBVLDYRBRZGL-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 88.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.38
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?

The IUPAC name of 6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (CID 24851672) is 6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.

What is the SMILES notation for 6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?

The canonical SMILES for 6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3ccc2n1Cc1ccccc1F.

What is the InChIKey of 6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?

The InChIKey is MBHBVLDYRBRZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN2O4/c24-16-6-2-1-4-14(16)12-26-17-8-7-13-9-11-30-21(13)19(17)18(20(26)23(28)29)15-5-3-10-25-22(15)27/h1-11H,12H2,(H,25,27)(H,28,29).

What are the key properties of 6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?

6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 402.38 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 24851672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).