8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium

C20H11ClF2N2O — CID 24900232

IUPAC8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium
SMILES[O-][n+]1ccc2c(-c3ccc(F)cc3F)ccnc2c1-c1ccccc1Cl
InChIInChI=1S/C20H11ClF2N2O/c21-17-4-2-1-3-16(17)20-19-15(8-10-25(20)26)13(7-9-24-19)14-6-5-12(22)11-18(14)23/h1-11H
InChIKeyJKDZPMYNOISXOZ-UHFFFAOYSA-N
MW368.77 g/mol
LogP5.13
Rot. Bonds2

About 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium

8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium (PubChem CID 24900232) has the molecular formula C20H11ClF2N2O and a molecular weight of 368.77 g/mol. Its IUPAC name is 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium.

Molecular Properties

Compound Name8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium
PubChem CID24900232
Molecular FormulaC20H11ClF2N2O
Molecular Weight368.77 g/mol
Exact Mass368.05
IUPAC Name8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium
SMILES[O-][n+]1ccc2c(-c3ccc(F)cc3F)ccnc2c1-c1ccccc1Cl
InChIInChI=1S/C20H11ClF2N2O/c21-17-4-2-1-3-16(17)20-19-15(8-10-25(20)26)13(7-9-24-19)14-6-5-12(22)11-18(14)23/h1-11H
InChIKeyJKDZPMYNOISXOZ-UHFFFAOYSA-N
XLogP5.13
TPSA39.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.77
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium?
The IUPAC name of 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium (CID 24900232) is 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium.
What is the SMILES notation for 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium?
The canonical SMILES for 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium is [O-][n+]1ccc2c(-c3ccc(F)cc3F)ccnc2c1-c1ccccc1Cl.
What is the InChIKey of 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium?
The InChIKey is JKDZPMYNOISXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClF2N2O/c21-17-4-2-1-3-16(17)20-19-15(8-10-25(20)26)13(7-9-24-19)14-6-5-12(22)11-18(14)23/h1-11H.
What are the key properties of 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium?
8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium has a molecular weight of 368.77 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium is sourced from PubChem (CID 24900232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).