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

C15H7Cl2FN2O3 — CID 18973143

IUPAC7,8-dichloro-1-(4-fluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(F)cc2)c2c(Cl)c(Cl)ncc2c1=O
InChIInChI=1S/C15H7Cl2FN2O3/c16-11-12-9(5-19-14(11)17)13(21)10(15(22)23)6-20(12)8-3-1-7(18)2-4-8/h1-6H,(H,22,23)
InChIKeyKGYAHOHKTJVWQR-UHFFFAOYSA-N
MW353.14 g/mol
LogP3.53
Rot. Bonds2

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

7,8-dichloro-1-(4-fluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid (PubChem CID 18973143) has the molecular formula C15H7Cl2FN2O3 and a molecular weight of 353.14 g/mol. Its IUPAC name is 7,8-dichloro-1-(4-fluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7,8-dichloro-1-(4-fluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid
PubChem CID18973143
Molecular FormulaC15H7Cl2FN2O3
Molecular Weight353.14 g/mol
Exact Mass351.98
IUPAC Name7,8-dichloro-1-(4-fluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(F)cc2)c2c(Cl)c(Cl)ncc2c1=O
InChIInChI=1S/C15H7Cl2FN2O3/c16-11-12-9(5-19-14(11)17)13(21)10(15(22)23)6-20(12)8-3-1-7(18)2-4-8/h1-6H,(H,22,23)
InChIKeyKGYAHOHKTJVWQR-UHFFFAOYSA-N
XLogP3.53
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.14
LogP ≤ 53.53
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-(4-fluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid?
The IUPAC name of 7,8-dichloro-1-(4-fluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid (CID 18973143) is 7,8-dichloro-1-(4-fluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7,8-dichloro-1-(4-fluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7,8-dichloro-1-(4-fluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid is O=C(O)c1cn(-c2ccc(F)cc2)c2c(Cl)c(Cl)ncc2c1=O.
What is the InChIKey of 7,8-dichloro-1-(4-fluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid?
The InChIKey is KGYAHOHKTJVWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2FN2O3/c16-11-12-9(5-19-14(11)17)13(21)10(15(22)23)6-20(12)8-3-1-7(18)2-4-8/h1-6H,(H,22,23).
What are the key properties of 7,8-dichloro-1-(4-fluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid?
7,8-dichloro-1-(4-fluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid has a molecular weight of 353.14 g/mol, XLogP of 3.53, 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-(4-fluorophenyl)-4-oxo-1,6-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 18973143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).