8-fluoro-2-methyl-10-oxo-4-oxa-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid

C12H9FN2O4 — CID 169152713

About 8-fluoro-2-methyl-10-oxo-4-oxa-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid

8-fluoro-2-methyl-10-oxo-4-oxa-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid (PubChem CID 169152713) has the molecular formula C12H9FN2O4 and a molecular weight of 264.21 g/mol. Its IUPAC name is 8-fluoro-2-methyl-10-oxo-4-oxa-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid.

Molecular Properties

• Compound Name: 8-fluoro-2-methyl-10-oxo-4-oxa-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid
• PubChem CID: 169152713
• Molecular Formula: C12H9FN2O4
• Molecular Weight: 264.21 g/mol
• Exact Mass: 264.05
• IUPAC Name: 8-fluoro-2-methyl-10-oxo-4-oxa-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid
• SMILES: CC1COc2ncc(F)c3c(=O)c(C(=O)O)cn1c23
• InChI: InChI=1S/C12H9FN2O4/c1-5-4-19-11-9-8(7(13)2-14-11)10(16)6(12(17)18)3-15(5)9/h2-3,5H,4H2,1H3,(H,17,18)
• InChIKey: QNYUOGBBPOGPDF-UHFFFAOYSA-N
• XLogP: 1.19
• TPSA: 81.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	264.21
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-10-oxo-4-oxa-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid?

The IUPAC name of 8-fluoro-2-methyl-10-oxo-4-oxa-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid (CID 169152713) is 8-fluoro-2-methyl-10-oxo-4-oxa-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid.

What is the SMILES notation for 8-fluoro-2-methyl-10-oxo-4-oxa-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid?

The canonical SMILES for 8-fluoro-2-methyl-10-oxo-4-oxa-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid is CC1COc2ncc(F)c3c(=O)c(C(=O)O)cn1c23.

What is the InChIKey of 8-fluoro-2-methyl-10-oxo-4-oxa-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid?

The InChIKey is QNYUOGBBPOGPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O4/c1-5-4-19-11-9-8(7(13)2-14-11)10(16)6(12(17)18)3-15(5)9/h2-3,5H,4H2,1H3,(H,17,18).

What are the key properties of 8-fluoro-2-methyl-10-oxo-4-oxa-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid?

8-fluoro-2-methyl-10-oxo-4-oxa-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid has a molecular weight of 264.21 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-fluoro-2-methyl-10-oxo-4-oxa-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid is sourced from PubChem (CID 169152713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).