7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

C11H4ClFN4O3S — CID 15229392

IUPAC7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ncns2)c2nc(Cl)c(F)cc2c1=O
InChIInChI=1S/C11H4ClFN4O3S/c12-8-6(13)1-4-7(18)5(10(19)20)2-17(9(4)16-8)11-14-3-15-21-11/h1-3H,(H,19,20)
InChIKeyVPWVVRWPUPWASF-UHFFFAOYSA-N
MW326.70 g/mol
LogP1.73
Rot. Bonds2

About 7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 15229392) has the molecular formula C11H4ClFN4O3S and a molecular weight of 326.70 g/mol. Its IUPAC name is 7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID15229392
Molecular FormulaC11H4ClFN4O3S
Molecular Weight326.70 g/mol
Exact Mass325.97
IUPAC Name7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ncns2)c2nc(Cl)c(F)cc2c1=O
InChIInChI=1S/C11H4ClFN4O3S/c12-8-6(13)1-4-7(18)5(10(19)20)2-17(9(4)16-8)11-14-3-15-21-11/h1-3H,(H,19,20)
InChIKeyVPWVVRWPUPWASF-UHFFFAOYSA-N
XLogP1.73
TPSA97.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.70
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 15229392) is 7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(-c2ncns2)c2nc(Cl)c(F)cc2c1=O.
What is the InChIKey of 7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is VPWVVRWPUPWASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4ClFN4O3S/c12-8-6(13)1-4-7(18)5(10(19)20)2-17(9(4)16-8)11-14-3-15-21-11/h1-3H,(H,19,20).
What are the key properties of 7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 326.70 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 15229392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).