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

C15H6ClF4N3O3 — CID 22441073

IUPAC1-(3-amino-2,4,6-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESNc1c(F)cc(F)c(-n2cc(C(=O)O)c(=O)c3cc(F)c(Cl)nc32)c1F
InChIInChI=1S/C15H6ClF4N3O3/c16-13-8(19)1-4-12(24)5(15(25)26)3-23(14(4)22-13)11-7(18)2-6(17)10(21)9(11)20/h1-3H,21H2,(H,25,26)
InChIKeyMCUPPVPPCQVPBV-UHFFFAOYSA-N
MW387.68 g/mol
LogP2.88
Rot. Bonds2

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

1-(3-amino-2,4,6-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 22441073) has the molecular formula C15H6ClF4N3O3 and a molecular weight of 387.68 g/mol. Its IUPAC name is 1-(3-amino-2,4,6-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-amino-2,4,6-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID22441073
Molecular FormulaC15H6ClF4N3O3
Molecular Weight387.68 g/mol
Exact Mass387.00
IUPAC Name1-(3-amino-2,4,6-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESNc1c(F)cc(F)c(-n2cc(C(=O)O)c(=O)c3cc(F)c(Cl)nc32)c1F
InChIInChI=1S/C15H6ClF4N3O3/c16-13-8(19)1-4-12(24)5(15(25)26)3-23(14(4)22-13)11-7(18)2-6(17)10(21)9(11)20/h1-3H,21H2,(H,25,26)
InChIKeyMCUPPVPPCQVPBV-UHFFFAOYSA-N
XLogP2.88
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.68
LogP ≤ 52.88
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

1-(5-amino-2-fluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10893526
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-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10546084
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-4-oxo-1-(1,3-thiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 139649612
ethyl 1-(5-amino-2,3,4-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 54318442
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-(5-amino-2,4-difluorophenyl)-7-(3-amino-3-methylazetidin-1-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 54323311
(3-amino-3-methylazetidin-1-yl) 1-(5-amino-2,4-difluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 57268969

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,4,6-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-(3-amino-2,4,6-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 22441073) is 1-(3-amino-2,4,6-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-(3-amino-2,4,6-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-(3-amino-2,4,6-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is Nc1c(F)cc(F)c(-n2cc(C(=O)O)c(=O)c3cc(F)c(Cl)nc32)c1F.
What is the InChIKey of 1-(3-amino-2,4,6-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is MCUPPVPPCQVPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6ClF4N3O3/c16-13-8(19)1-4-12(24)5(15(25)26)3-23(14(4)22-13)11-7(18)2-6(17)10(21)9(11)20/h1-3H,21H2,(H,25,26).
What are the key properties of 1-(3-amino-2,4,6-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
1-(3-amino-2,4,6-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 387.68 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,4,6-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 22441073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).