5,7-dichloro-2-ethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

C14H9Cl2N3O3S — CID 175473824

About 5,7-dichloro-2-ethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

5,7-dichloro-2-ethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 175473824) has the molecular formula C14H9Cl2N3O3S and a molecular weight of 370.22 g/mol. Its IUPAC name is 5,7-dichloro-2-ethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5,7-dichloro-2-ethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 175473824
• Molecular Formula: C14H9Cl2N3O3S
• Molecular Weight: 370.22 g/mol
• Exact Mass: 368.97
• IUPAC Name: 5,7-dichloro-2-ethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: CCc1c(C(=O)O)c(=O)c2c(Cl)cc(Cl)nc2n1-c1nccs1
• InChI: InChI=1S/C14H9Cl2N3O3S/c1-2-7-10(13(21)22)11(20)9-6(15)5-8(16)18-12(9)19(7)14-17-3-4-23-14/h3-5H,2H2,1H3,(H,21,22)
• InChIKey: VHJDSKAOSOBCHZ-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 85.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.22
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 5,7-dichloro-2-ethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 175473824) is 5,7-dichloro-2-ethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

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

The canonical SMILES for 5,7-dichloro-2-ethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is CCc1c(C(=O)O)c(=O)c2c(Cl)cc(Cl)nc2n1-c1nccs1.

What is the InChIKey of 5,7-dichloro-2-ethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is VHJDSKAOSOBCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O3S/c1-2-7-10(13(21)22)11(20)9-6(15)5-8(16)18-12(9)19(7)14-17-3-4-23-14/h3-5H,2H2,1H3,(H,21,22).

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

5,7-dichloro-2-ethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 370.22 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dichloro-2-ethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 175473824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).