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

C15H6ClF3N2O3 — CID 68523620

IUPAC7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(F)cc2F)c2cc(Cl)c(F)nc2c1=O
InChIInChI=1S/C15H6ClF3N2O3/c16-8-4-11-12(20-14(8)19)13(22)7(15(23)24)5-21(11)10-2-1-6(17)3-9(10)18/h1-5H,(H,23,24)
InChIKeyQJYFZQVDGYJIID-UHFFFAOYSA-N
MW354.67 g/mol
LogP3.15
Rot. Bonds2

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

7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid (PubChem CID 68523620) has the molecular formula C15H6ClF3N2O3 and a molecular weight of 354.67 g/mol. Its IUPAC name is 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid
PubChem CID68523620
Molecular FormulaC15H6ClF3N2O3
Molecular Weight354.67 g/mol
Exact Mass354.00
IUPAC Name7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(F)cc2F)c2cc(Cl)c(F)nc2c1=O
InChIInChI=1S/C15H6ClF3N2O3/c16-8-4-11-12(20-14(8)19)13(22)7(15(23)24)5-21(11)10-2-1-6(17)3-9(10)18/h1-5H,(H,23,24)
InChIKeyQJYFZQVDGYJIID-UHFFFAOYSA-N
XLogP3.15
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.67
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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
6-chloro-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 134346812
1-(2,4-difluorophenyl)-6-fluoro-7-methyl-4-oxoquinoline-3-carboxylic acid
CID 5061933
1-(2,4-difluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 82421494
7-(diethylamino)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 57113967
6,7-difluoro-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid
CID 70457288
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
6-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-difluorophenyl)-5-fluoro-4-oxo-1,7-naphthyridine-3-carboxylic acid
CID 90226048
7-[(3R,4R)-3-(aminomethyl)-4-chloropyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 70415530
1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane]-3-yl-1,8-naphthyridine-3-carboxylic acid
CID 163789812
7-(3-amino-4-methylpyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 57248114
7-(3-aminopyrrolidin-2-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 70441312

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid (CID 68523620) is 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid is O=C(O)c1cn(-c2ccc(F)cc2F)c2cc(Cl)c(F)nc2c1=O.
What is the InChIKey of 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid?
The InChIKey is QJYFZQVDGYJIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6ClF3N2O3/c16-8-4-11-12(20-14(8)19)13(22)7(15(23)24)5-21(11)10-2-1-6(17)3-9(10)18/h1-5H,(H,23,24).
What are the key properties of 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid?
7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid has a molecular weight of 354.67 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 68523620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).