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

C12H5ClFN3O3S — CID 139649612

IUPAC7-chloro-6-fluoro-4-oxo-1-(1,3-thiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2cncs2)c2nc(Cl)c(F)cc2c1=O
InChIInChI=1S/C12H5ClFN3O3S/c13-10-7(14)1-5-9(18)6(12(19)20)3-17(11(5)16-10)8-2-15-4-21-8/h1-4H,(H,19,20)
InChIKeyKHWKSFMCSCQGIF-UHFFFAOYSA-N
MW325.71 g/mol
LogP2.33
Rot. Bonds2

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

7-chloro-6-fluoro-4-oxo-1-(1,3-thiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 139649612) has the molecular formula C12H5ClFN3O3S and a molecular weight of 325.71 g/mol. Its IUPAC name is 7-chloro-6-fluoro-4-oxo-1-(1,3-thiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-6-fluoro-4-oxo-1-(1,3-thiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID139649612
Molecular FormulaC12H5ClFN3O3S
Molecular Weight325.71 g/mol
Exact Mass324.97
IUPAC Name7-chloro-6-fluoro-4-oxo-1-(1,3-thiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2cncs2)c2nc(Cl)c(F)cc2c1=O
InChIInChI=1S/C12H5ClFN3O3S/c13-10-7(14)1-5-9(18)6(12(19)20)3-17(11(5)16-10)8-2-15-4-21-8/h1-4H,(H,19,20)
InChIKeyKHWKSFMCSCQGIF-UHFFFAOYSA-N
XLogP2.33
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.71
LogP ≤ 52.33
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

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-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10546084
7-chloro-6-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 19939831
1-(5-amino-2-fluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10893526
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-oxo-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 169098410
7-chloro-6-fluoro-1-[2-(1-methoxyethoxy)ethyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 139766013
6-chloro-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 134346812
7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-thiophen-2-yl-1,8-naphthyridine-3-carboxylic acid
CID 10971631
7-(3-aminoazetidin-1-yl)-1-(5-amino-2-chloro-4-fluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 54124556
6,7,8-trifluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylic acid
CID 11823570

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-4-oxo-1-(1,3-thiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-chloro-6-fluoro-4-oxo-1-(1,3-thiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 139649612) is 7-chloro-6-fluoro-4-oxo-1-(1,3-thiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-chloro-6-fluoro-4-oxo-1-(1,3-thiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-chloro-6-fluoro-4-oxo-1-(1,3-thiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(-c2cncs2)c2nc(Cl)c(F)cc2c1=O.
What is the InChIKey of 7-chloro-6-fluoro-4-oxo-1-(1,3-thiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is KHWKSFMCSCQGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClFN3O3S/c13-10-7(14)1-5-9(18)6(12(19)20)3-17(11(5)16-10)8-2-15-4-21-8/h1-4H,(H,19,20).
What are the key properties of 7-chloro-6-fluoro-4-oxo-1-(1,3-thiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
7-chloro-6-fluoro-4-oxo-1-(1,3-thiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 325.71 g/mol, XLogP of 2.33, 2 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-(1,3-thiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 139649612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).