7,8-dichloro-1-(2,4-difluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid

C15H6Cl2F2N2O3 — CID 18973187

IUPAC7,8-dichloro-1-(2,4-difluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(F)cc2F)c2c(Cl)c(Cl)ncc2c1=O
InChIInChI=1S/C15H6Cl2F2N2O3/c16-11-12-7(4-20-14(11)17)13(22)8(15(23)24)5-21(12)10-2-1-6(18)3-9(10)19/h1-5H,(H,23,24)
InChIKeyHUPVZGNGKMUPJO-UHFFFAOYSA-N
MW371.13 g/mol
LogP3.67
Rot. Bonds2

About 7,8-dichloro-1-(2,4-difluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid

7,8-dichloro-1-(2,4-difluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid (PubChem CID 18973187) has the molecular formula C15H6Cl2F2N2O3 and a molecular weight of 371.13 g/mol. Its IUPAC name is 7,8-dichloro-1-(2,4-difluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7,8-dichloro-1-(2,4-difluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid
PubChem CID18973187
Molecular FormulaC15H6Cl2F2N2O3
Molecular Weight371.13 g/mol
Exact Mass369.97
IUPAC Name7,8-dichloro-1-(2,4-difluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(F)cc2F)c2c(Cl)c(Cl)ncc2c1=O
InChIInChI=1S/C15H6Cl2F2N2O3/c16-11-12-7(4-20-14(11)17)13(22)8(15(23)24)5-21(12)10-2-1-6(18)3-9(10)19/h1-5H,(H,23,24)
InChIKeyHUPVZGNGKMUPJO-UHFFFAOYSA-N
XLogP3.67
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.13
LogP ≤ 53.67
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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Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-1-(2,4-difluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid?
The IUPAC name of 7,8-dichloro-1-(2,4-difluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid (CID 18973187) is 7,8-dichloro-1-(2,4-difluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7,8-dichloro-1-(2,4-difluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7,8-dichloro-1-(2,4-difluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid is O=C(O)c1cn(-c2ccc(F)cc2F)c2c(Cl)c(Cl)ncc2c1=O.
What is the InChIKey of 7,8-dichloro-1-(2,4-difluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid?
The InChIKey is HUPVZGNGKMUPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6Cl2F2N2O3/c16-11-12-7(4-20-14(11)17)13(22)8(15(23)24)5-21(12)10-2-1-6(18)3-9(10)19/h1-5H,(H,23,24).
What are the key properties of 7,8-dichloro-1-(2,4-difluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid?
7,8-dichloro-1-(2,4-difluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid has a molecular weight of 371.13 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-1-(2,4-difluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 18973187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).