1-(6-amino-3,5-difluoro-2-pyridinyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid

C15H8F3N3O3 — CID 143136205

IUPAC1-(6-amino-3,5-difluoro-2-pyridinyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESNc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)ccc32)c(F)cc1F
InChIInChI=1S/C15H8F3N3O3/c16-6-1-2-11-7(3-6)12(22)8(15(23)24)5-21(11)14-10(18)4-9(17)13(19)20-14/h1-5H,(H2,19,20)(H,23,24)
InChIKeyXYRAEMIMAZZAFY-UHFFFAOYSA-N
MW335.24 g/mol
LogP2.08
Rot. Bonds2

About 1-(6-amino-3,5-difluoro-2-pyridinyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid

1-(6-amino-3,5-difluoro-2-pyridinyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 143136205) has the molecular formula C15H8F3N3O3 and a molecular weight of 335.24 g/mol. Its IUPAC name is 1-(6-amino-3,5-difluoro-2-pyridinyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-amino-3,5-difluoro-2-pyridinyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
PubChem CID143136205
Molecular FormulaC15H8F3N3O3
Molecular Weight335.24 g/mol
Exact Mass335.05
IUPAC Name1-(6-amino-3,5-difluoro-2-pyridinyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESNc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)ccc32)c(F)cc1F
InChIInChI=1S/C15H8F3N3O3/c16-6-1-2-11-7(3-6)12(22)8(15(23)24)5-21(11)14-10(18)4-9(17)13(19)20-14/h1-5H,(H2,19,20)(H,23,24)
InChIKeyXYRAEMIMAZZAFY-UHFFFAOYSA-N
XLogP2.08
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(6-amino-3,5-difluoro-2-pyridinyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-amino-3,5-difluoro-2-pyridinyl)-7-[3-(2,2-difluoro-1-hydroxyethyl)pyrrolidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 11167624
1-(6-amino-3,5-difluoro-2-pyridinyl)-7-[[(4S)-5,5-difluoro-4-hydroxypentyl]-methylamino]-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 143016294
1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6,7-difluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid
CID 68572617
1-(6-amino-3,5-difluoro-2-pyridinyl)-7-[(2S,3E)-2-(aminomethyl)-3-methoxyiminoazetidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 127046148
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
ethyl 1-(6-amino-3,5-difluoro-2-pyridinyl)-6-fluoro-7-[(2S)-2-methylazetidin-1-yl]-4-oxoquinoline-3-carboxylate
CID 125130373
7-(3-aminopyrrol-1-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 174257464
7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10546084
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-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 82248137
1-(2,4-difluorophenyl)-6-fluoro-7-methyl-4-oxoquinoline-3-carboxylic acid
CID 5061933
7-[(1R,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 98079436

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3,5-difluoro-2-pyridinyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-(6-amino-3,5-difluoro-2-pyridinyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid (CID 143136205) is 1-(6-amino-3,5-difluoro-2-pyridinyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-(6-amino-3,5-difluoro-2-pyridinyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-(6-amino-3,5-difluoro-2-pyridinyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid is Nc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)ccc32)c(F)cc1F.
What is the InChIKey of 1-(6-amino-3,5-difluoro-2-pyridinyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The InChIKey is XYRAEMIMAZZAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3O3/c16-6-1-2-11-7(3-6)12(22)8(15(23)24)5-21(11)14-10(18)4-9(17)13(19)20-14/h1-5H,(H2,19,20)(H,23,24).
What are the key properties of 1-(6-amino-3,5-difluoro-2-pyridinyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid?
1-(6-amino-3,5-difluoro-2-pyridinyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 335.24 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-3,5-difluoro-2-pyridinyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 143136205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).