6-chloro-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

C15H7ClF2N2O3 — CID 134346812

IUPAC6-chloro-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(F)cc2F)c2ncc(Cl)cc2c1=O
InChIInChI=1S/C15H7ClF2N2O3/c16-7-3-9-13(21)10(15(22)23)6-20(14(9)19-5-7)12-2-1-8(17)4-11(12)18/h1-6H,(H,22,23)
InChIKeyCUMQDHGCOYHKKU-UHFFFAOYSA-N
MW336.68 g/mol
LogP3.02
Rot. Bonds2

About 6-chloro-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

6-chloro-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 134346812) has the molecular formula C15H7ClF2N2O3 and a molecular weight of 336.68 g/mol. Its IUPAC name is 6-chloro-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID134346812
Molecular FormulaC15H7ClF2N2O3
Molecular Weight336.68 g/mol
Exact Mass336.01
IUPAC Name6-chloro-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(F)cc2F)c2ncc(Cl)cc2c1=O
InChIInChI=1S/C15H7ClF2N2O3/c16-7-3-9-13(21)10(15(22)23)6-20(14(9)19-5-7)12-2-1-8(17)4-11(12)18/h1-6H,(H,22,23)
InChIKeyCUMQDHGCOYHKKU-UHFFFAOYSA-N
XLogP3.02
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.68
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10546084
7-(diethylamino)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 57113967
1-(2,4-difluorophenyl)-6-fluoro-7-methyl-4-oxoquinoline-3-carboxylic acid
CID 5061933
7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,5-naphthyridine-3-carboxylic acid
CID 68523620
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
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
1-(5-amino-2-fluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10893526
7-(3-amino-2,2,5,5-tetradeuteriopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 169447240
7-(6-amino-3-azabicyclo[3.1.0]hexan-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 70106225
7-[(1R,5R,6S)-5-amino-3-azabicyclo[4.1.0]heptan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 67789146

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 134346812) is 6-chloro-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(-c2ccc(F)cc2F)c2ncc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is CUMQDHGCOYHKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF2N2O3/c16-7-3-9-13(21)10(15(22)23)6-20(14(9)19-5-7)12-2-1-8(17)4-11(12)18/h1-6H,(H,22,23).
What are the key properties of 6-chloro-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
6-chloro-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 336.68 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 134346812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).