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

C12H5Cl2N3O3S — CID 18969067

IUPAC5,7-dichloro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2nccs2)c2nc(Cl)cc(Cl)c2c1=O
InChIInChI=1S/C12H5Cl2N3O3S/c13-6-3-7(14)16-10-8(6)9(18)5(11(19)20)4-17(10)12-15-1-2-21-12/h1-4H,(H,19,20)
InChIKeyVXAWXRJDEKXMEN-UHFFFAOYSA-N
MW342.16 g/mol
LogP2.85
Rot. Bonds2

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

5,7-dichloro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 18969067) has the molecular formula C12H5Cl2N3O3S and a molecular weight of 342.16 g/mol. Its IUPAC name is 5,7-dichloro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name5,7-dichloro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID18969067
Molecular FormulaC12H5Cl2N3O3S
Molecular Weight342.16 g/mol
Exact Mass340.94
IUPAC Name5,7-dichloro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2nccs2)c2nc(Cl)cc(Cl)c2c1=O
InChIInChI=1S/C12H5Cl2N3O3S/c13-6-3-7(14)16-10-8(6)9(18)5(11(19)20)4-17(10)12-15-1-2-21-12/h1-4H,(H,19,20)
InChIKeyVXAWXRJDEKXMEN-UHFFFAOYSA-N
XLogP2.85
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5,7-dichloro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 5,7-dichloro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 18969067) is 5,7-dichloro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 5,7-dichloro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 5,7-dichloro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(-c2nccs2)c2nc(Cl)cc(Cl)c2c1=O.
What is the InChIKey of 5,7-dichloro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is VXAWXRJDEKXMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl2N3O3S/c13-6-3-7(14)16-10-8(6)9(18)5(11(19)20)4-17(10)12-15-1-2-21-12/h1-4H,(H,19,20).
What are the key properties of 5,7-dichloro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
5,7-dichloro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 342.16 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 18969067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).