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

C12H5ClFN3O4S — CID 169098410

IUPAC7-chloro-6-fluoro-4-oxo-1-(1-oxo-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(C2=NC=CS2=O)c2nc(Cl)c(F)cc2c1=O
InChIInChI=1S/C12H5ClFN3O4S/c13-9-7(14)3-5-8(18)6(11(19)20)4-17(10(5)16-9)12-15-1-2-22(12)21/h1-4H,(H,19,20)
InChIKeyMKQAHZNAJADCEI-UHFFFAOYSA-N
MW341.71 g/mol
LogP1.32
Rot. Bonds1

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

7-chloro-6-fluoro-4-oxo-1-(1-oxo-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 169098410) has the molecular formula C12H5ClFN3O4S and a molecular weight of 341.71 g/mol. Its IUPAC name is 7-chloro-6-fluoro-4-oxo-1-(1-oxo-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-6-fluoro-4-oxo-1-(1-oxo-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID169098410
Molecular FormulaC12H5ClFN3O4S
Molecular Weight341.71 g/mol
Exact Mass340.97
IUPAC Name7-chloro-6-fluoro-4-oxo-1-(1-oxo-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(C2=NC=CS2=O)c2nc(Cl)c(F)cc2c1=O
InChIInChI=1S/C12H5ClFN3O4S/c13-9-7(14)3-5-8(18)6(11(19)20)4-17(10(5)16-9)12-15-1-2-22(12)21/h1-4H,(H,19,20)
InChIKeyMKQAHZNAJADCEI-UHFFFAOYSA-N
XLogP1.32
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.71
LogP ≤ 51.32
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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Related Compounds

1-(5-amino-2-fluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10893526
7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10546084
1-(3-amino-2,4,6-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 22441073
7-chloro-6-fluoro-4-oxo-1-(1,3-thiazol-4-yl)-1,8-naphthyridine-3-carboxylic acid
CID 139649615
7-chloro-1-(3-chloro-1,2,4-thiadiazol-5-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 142434431
7-chloro-6-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 19939831
7-chloro-6-fluoro-4-oxo-1-(1,3-thiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 139649612
7-chloro-6-fluoro-1-[2-(1-methoxyethoxy)ethyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 139766013
2-amino-6-chloro-5-fluoropyridine-3-carboxylic acid
CID 165124028
1-tert-butyl-6-fluoro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 59439208
ethyl 1-(5-amino-2,3,4-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 54318442
7-(3-aminoazetidin-1-yl)-1-(5-amino-2-chloro-4-fluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 54124556

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-4-oxo-1-(1-oxo-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-chloro-6-fluoro-4-oxo-1-(1-oxo-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 169098410) is 7-chloro-6-fluoro-4-oxo-1-(1-oxo-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-chloro-6-fluoro-4-oxo-1-(1-oxo-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-chloro-6-fluoro-4-oxo-1-(1-oxo-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(C2=NC=CS2=O)c2nc(Cl)c(F)cc2c1=O.
What is the InChIKey of 7-chloro-6-fluoro-4-oxo-1-(1-oxo-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is MKQAHZNAJADCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClFN3O4S/c13-9-7(14)3-5-8(18)6(11(19)20)4-17(10(5)16-9)12-15-1-2-22(12)21/h1-4H,(H,19,20).
What are the key properties of 7-chloro-6-fluoro-4-oxo-1-(1-oxo-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
7-chloro-6-fluoro-4-oxo-1-(1-oxo-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 341.71 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-4-oxo-1-(1-oxo-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 169098410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).