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

C15H8ClF2N3O3 — CID 10893526

IUPAC1-(5-amino-2-fluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESNc1ccc(F)c(-n2cc(C(=O)O)c(=O)c3cc(F)c(Cl)nc32)c1
InChIInChI=1S/C15H8ClF2N3O3/c16-13-10(18)4-7-12(22)8(15(23)24)5-21(14(7)20-13)11-3-6(19)1-2-9(11)17/h1-5H,19H2,(H,23,24)
InChIKeyFUGJLUNNJZPMDJ-UHFFFAOYSA-N
MW351.70 g/mol
LogP2.60
Rot. Bonds2

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

1-(5-amino-2-fluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 10893526) has the molecular formula C15H8ClF2N3O3 and a molecular weight of 351.70 g/mol. Its IUPAC name is 1-(5-amino-2-fluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-2-fluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID10893526
Molecular FormulaC15H8ClF2N3O3
Molecular Weight351.70 g/mol
Exact Mass351.02
IUPAC Name1-(5-amino-2-fluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESNc1ccc(F)c(-n2cc(C(=O)O)c(=O)c3cc(F)c(Cl)nc32)c1
InChIInChI=1S/C15H8ClF2N3O3/c16-13-10(18)4-7-12(22)8(15(23)24)5-21(14(7)20-13)11-3-6(19)1-2-9(11)17/h1-5H,19H2,(H,23,24)
InChIKeyFUGJLUNNJZPMDJ-UHFFFAOYSA-N
XLogP2.60
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.70
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
1-(5-amino-2-fluorophenyl)-8-chloro-6-fluoro-7-(methylamino)-4-oxoquinoline-3-carboxylic acid
CID 23284798
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-4-oxo-1-(1-oxo-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 169098410
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
6-chloro-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 134346812
ethyl 1-(5-amino-2,3,4-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 54318442
2-amino-6-chloro-5-fluoropyridine-3-carboxylic acid
CID 165124028
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 1-(5-amino-2-fluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-(5-amino-2-fluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 10893526) is 1-(5-amino-2-fluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-(5-amino-2-fluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-(5-amino-2-fluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is Nc1ccc(F)c(-n2cc(C(=O)O)c(=O)c3cc(F)c(Cl)nc32)c1.
What is the InChIKey of 1-(5-amino-2-fluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is FUGJLUNNJZPMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF2N3O3/c16-13-10(18)4-7-12(22)8(15(23)24)5-21(14(7)20-13)11-3-6(19)1-2-9(11)17/h1-5H,19H2,(H,23,24).
What are the key properties of 1-(5-amino-2-fluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
1-(5-amino-2-fluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 351.70 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-fluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 10893526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).