4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium

C20H10F4N2O — CID 24899732

IUPAC4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium
SMILES[O-][n+]1ccc2c(-c3ccc(F)cc3F)ccnc2c1-c1c(F)cccc1F
InChIInChI=1S/C20H10F4N2O/c21-11-4-5-13(17(24)10-11)12-6-8-25-19-14(12)7-9-26(27)20(19)18-15(22)2-1-3-16(18)23/h1-10H
InChIKeyXJDUVFXYJLNYBZ-UHFFFAOYSA-N
MW370.31 g/mol
LogP4.76
Rot. Bonds2

About 4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium

4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium (PubChem CID 24899732) has the molecular formula C20H10F4N2O and a molecular weight of 370.31 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium
PubChem CID24899732
Molecular FormulaC20H10F4N2O
Molecular Weight370.31 g/mol
Exact Mass370.07
IUPAC Name4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium
SMILES[O-][n+]1ccc2c(-c3ccc(F)cc3F)ccnc2c1-c1c(F)cccc1F
InChIInChI=1S/C20H10F4N2O/c21-11-4-5-13(17(24)10-11)12-6-8-25-19-14(12)7-9-26(27)20(19)18-15(22)2-1-3-16(18)23/h1-10H
InChIKeyXJDUVFXYJLNYBZ-UHFFFAOYSA-N
XLogP4.76
TPSA39.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 54.76
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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Related Compounds

4,7-Diphenyl-1,10-phenanthroline
CID 72812
N-3-Pyridinyl-9-acridinamine
CID 53313
6-(4-Pyridylmethyl)-8-(3-nitrophenyl)quinoline
CID 9819356
8-(2,6-Dichlorophenyl)-4-(2,4-Difluorophenyl)-2-Piperidin-4-Yl-1,7-Naphthyridine 7-Oxide
CID 24899987
6,6'-Biquinoline
CID 620711
2-(2-Pyridinyl)quinoline
CID 609911
4,4'-Diphenyl-2,2'-bipyridine
CID 80259
1,7-Naphthyridine
CID 9209
6-Phenyl-8-(3-nitrophenyl)-1,7-naphthyridine
CID 10711281
4-[3-(4-fluorophenyl)-1-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridine
CID 11809327
4-(2-Chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-7-oxido-1,7-naphthyridin-7-ium
CID 24897233
4-(2-Chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-2-(1-propan-2-ylpiperidin-4-yl)-1,7-naphthyridin-7-ium
CID 24897234

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium?
The IUPAC name of 4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium (CID 24899732) is 4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium.
What is the SMILES notation for 4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium?
The canonical SMILES for 4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium is [O-][n+]1ccc2c(-c3ccc(F)cc3F)ccnc2c1-c1c(F)cccc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium?
The InChIKey is XJDUVFXYJLNYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F4N2O/c21-11-4-5-13(17(24)10-11)12-6-8-25-19-14(12)7-9-26(27)20(19)18-15(22)2-1-3-16(18)23/h1-10H.
What are the key properties of 4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium?
4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium has a molecular weight of 370.31 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium is sourced from PubChem (CID 24899732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).