1-(2-fluorophenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione

C18H11FN4O3 — CID 135706708

About 1-(2-fluorophenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione

1-(2-fluorophenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione (PubChem CID 135706708) has the molecular formula C18H11FN4O3 and a molecular weight of 350.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-(2-fluorophenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione
• PubChem CID: 135706708
• Molecular Formula: C18H11FN4O3
• Molecular Weight: 350.31 g/mol
• Exact Mass: 350.08
• IUPAC Name: 1-(2-fluorophenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione
• SMILES: O=c1[nH]c(=O)n(-c2ccccc2F)c(O)c1/C=C1/C=Nc2ncccc21
• InChI: InChI=1S/C18H11FN4O3/c19-13-5-1-2-6-14(13)23-17(25)12(16(24)22-18(23)26)8-10-9-21-15-11(10)4-3-7-20-15/h1-9,25H,(H,22,24,26)/b10-8-
• InChIKey: CZGUPOXIBDEHHR-NTMALXAHSA-N
• XLogP: 2.02
• TPSA: 100.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.31
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione?

The IUPAC name of 1-(2-fluorophenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione (CID 135706708) is 1-(2-fluorophenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-(2-fluorophenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione?

The canonical SMILES for 1-(2-fluorophenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ccccc2F)c(O)c1/C=C1/C=Nc2ncccc21.

What is the InChIKey of 1-(2-fluorophenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione?

The InChIKey is CZGUPOXIBDEHHR-NTMALXAHSA-N. The full InChI is InChI=1S/C18H11FN4O3/c19-13-5-1-2-6-14(13)23-17(25)12(16(24)22-18(23)26)8-10-9-21-15-11(10)4-3-7-20-15/h1-9,25H,(H,22,24,26)/b10-8-.

What are the key properties of 1-(2-fluorophenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione?

1-(2-fluorophenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione has a molecular weight of 350.31 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluorophenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135706708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).