6-fluoro-1-(5-fluoro-1,3-thiazol-2-yl)-7-(3-formylazetidin-1-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

C17H12F2N4O4S — CID 146414308

About 6-fluoro-1-(5-fluoro-1,3-thiazol-2-yl)-7-(3-formylazetidin-1-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

6-fluoro-1-(5-fluoro-1,3-thiazol-2-yl)-7-(3-formylazetidin-1-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 146414308) has the molecular formula C17H12F2N4O4S and a molecular weight of 406.37 g/mol. Its IUPAC name is 6-fluoro-1-(5-fluoro-1,3-thiazol-2-yl)-7-(3-formylazetidin-1-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-fluoro-1-(5-fluoro-1,3-thiazol-2-yl)-7-(3-formylazetidin-1-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 146414308
• Molecular Formula: C17H12F2N4O4S
• Molecular Weight: 406.37 g/mol
• Exact Mass: 406.05
• IUPAC Name: 6-fluoro-1-(5-fluoro-1,3-thiazol-2-yl)-7-(3-formylazetidin-1-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
• SMILES: Cc1c(F)c(N2CC(C=O)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncc(F)s1
• InChI: InChI=1S/C17H12F2N4O4S/c1-7-11-13(25)9(16(26)27)5-23(17-20-2-10(18)28-17)14(11)21-15(12(7)19)22-3-8(4-22)6-24/h2,5-6,8H,3-4H2,1H3,(H,26,27)
• InChIKey: HVXSZOZQPRODFU-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 105.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.37
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(5-fluoro-1,3-thiazol-2-yl)-7-(3-formylazetidin-1-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 6-fluoro-1-(5-fluoro-1,3-thiazol-2-yl)-7-(3-formylazetidin-1-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 146414308) is 6-fluoro-1-(5-fluoro-1,3-thiazol-2-yl)-7-(3-formylazetidin-1-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 6-fluoro-1-(5-fluoro-1,3-thiazol-2-yl)-7-(3-formylazetidin-1-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 6-fluoro-1-(5-fluoro-1,3-thiazol-2-yl)-7-(3-formylazetidin-1-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is Cc1c(F)c(N2CC(C=O)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncc(F)s1.

What is the InChIKey of 6-fluoro-1-(5-fluoro-1,3-thiazol-2-yl)-7-(3-formylazetidin-1-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is HVXSZOZQPRODFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O4S/c1-7-11-13(25)9(16(26)27)5-23(17-20-2-10(18)28-17)14(11)21-15(12(7)19)22-3-8(4-22)6-24/h2,5-6,8H,3-4H2,1H3,(H,26,27).

What are the key properties of 6-fluoro-1-(5-fluoro-1,3-thiazol-2-yl)-7-(3-formylazetidin-1-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?

6-fluoro-1-(5-fluoro-1,3-thiazol-2-yl)-7-(3-formylazetidin-1-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 406.37 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-1-(5-fluoro-1,3-thiazol-2-yl)-7-(3-formylazetidin-1-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 146414308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).