7-chloro-5-methyl-4-oxo-1-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

C17H10ClN5O3S — CID 142435581

About 7-chloro-5-methyl-4-oxo-1-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

7-chloro-5-methyl-4-oxo-1-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142435581) has the molecular formula C17H10ClN5O3S and a molecular weight of 399.82 g/mol. Its IUPAC name is 7-chloro-5-methyl-4-oxo-1-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-chloro-5-methyl-4-oxo-1-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 142435581
• Molecular Formula: C17H10ClN5O3S
• Molecular Weight: 399.82 g/mol
• Exact Mass: 399.02
• IUPAC Name: 7-chloro-5-methyl-4-oxo-1-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: Cc1cc(Cl)nc2c1c(=O)c(C(=O)O)cn2-c1nc(-c2ccccn2)ns1
• InChI: InChI=1S/C17H10ClN5O3S/c1-8-6-11(18)20-15-12(8)13(24)9(16(25)26)7-23(15)17-21-14(22-27-17)10-4-2-3-5-19-10/h2-7H,1H3,(H,25,26)
• InChIKey: WAUNHBVTLSBDMC-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 110.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.82
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-4-oxo-1-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 7-chloro-5-methyl-4-oxo-1-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142435581) is 7-chloro-5-methyl-4-oxo-1-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 7-chloro-5-methyl-4-oxo-1-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 7-chloro-5-methyl-4-oxo-1-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1cc(Cl)nc2c1c(=O)c(C(=O)O)cn2-c1nc(-c2ccccn2)ns1.

What is the InChIKey of 7-chloro-5-methyl-4-oxo-1-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is WAUNHBVTLSBDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN5O3S/c1-8-6-11(18)20-15-12(8)13(24)9(16(25)26)7-23(15)17-21-14(22-27-17)10-4-2-3-5-19-10/h2-7H,1H3,(H,25,26).

What are the key properties of 7-chloro-5-methyl-4-oxo-1-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?

7-chloro-5-methyl-4-oxo-1-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 399.82 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-5-methyl-4-oxo-1-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142435581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).