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

C14H5ClF4N4O3 — CID 68572617

IUPAC1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6,7-difluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid
SMILESNc1nc(-n2cc(C(=O)O)c(=O)c3nc(F)c(F)c(Cl)c32)c(F)cc1F
InChIInChI=1S/C14H5ClF4N4O3/c15-6-7(18)11(19)21-8-9(6)23(2-3(10(8)24)14(25)26)13-5(17)1-4(16)12(20)22-13/h1-2H,(H2,20,22)(H,25,26)
InChIKeyVTKQWJWEYHYESP-UHFFFAOYSA-N
MW388.66 g/mol
LogP2.27
Rot. Bonds2

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

1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6,7-difluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid (PubChem CID 68572617) has the molecular formula C14H5ClF4N4O3 and a molecular weight of 388.66 g/mol. Its IUPAC name is 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6,7-difluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6,7-difluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid
PubChem CID68572617
Molecular FormulaC14H5ClF4N4O3
Molecular Weight388.66 g/mol
Exact Mass388.00
IUPAC Name1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6,7-difluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid
SMILESNc1nc(-n2cc(C(=O)O)c(=O)c3nc(F)c(F)c(Cl)c32)c(F)cc1F
InChIInChI=1S/C14H5ClF4N4O3/c15-6-7(18)11(19)21-8-9(6)23(2-3(10(8)24)14(25)26)13-5(17)1-4(16)12(20)22-13/h1-2H,(H2,20,22)(H,25,26)
InChIKeyVTKQWJWEYHYESP-UHFFFAOYSA-N
XLogP2.27
TPSA111.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.66
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid;trihydrate
CID 46206335
1-(6-amino-3,5-difluoro-2-pyridinyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 143136205
7-[(3Z)-3-(2-amino-1-chloroethylidene)piperidin-1-yl]-1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 42641656
1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-7-[4-(1-fluoro-2-hydroxyethylidene)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 42641995
1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-7-[(3E)-3-(1-chloro-2-hydroxyethylidene)piperidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 68523612
1-(6-amino-3,5-difluoro-2-pyridinyl)-7-[(3E)-3-(1-aminopropan-2-ylidene)piperidin-1-yl]-8-chloro-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 42642109
1-(6-amino-4-chloro-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 170457987
gallium tris(1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylate)
CID 51038053
1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 11578213
1-(6-amino-3,5-difluoro-2-pyridinyl)-7-[3-(2,2-difluoro-1-hydroxyethyl)pyrrolidin-1-yl]-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 143016266
1-(3-amino-2,4,6-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 22441073
7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid
CID 68523620

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6,7-difluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6,7-difluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid (CID 68572617) is 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6,7-difluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6,7-difluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6,7-difluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid is Nc1nc(-n2cc(C(=O)O)c(=O)c3nc(F)c(F)c(Cl)c32)c(F)cc1F.
What is the InChIKey of 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6,7-difluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid?
The InChIKey is VTKQWJWEYHYESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5ClF4N4O3/c15-6-7(18)11(19)21-8-9(6)23(2-3(10(8)24)14(25)26)13-5(17)1-4(16)12(20)22-13/h1-2H,(H2,20,22)(H,25,26).
What are the key properties of 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6,7-difluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid?
1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6,7-difluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid has a molecular weight of 388.66 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6,7-difluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 68572617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).