8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-(2-hydroxyethoxy)-2-(hydroxymethyl)-1,6-naphthyridin-4-one

C17H12Cl3FN2O4 — CID 134453210

IUPAC8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-(2-hydroxyethoxy)-2-(hydroxymethyl)-1,6-naphthyridin-4-one
SMILESO=c1cc(CO)n(-c2c(Cl)cc(F)cc2Cl)c2c(Cl)cnc(OCCO)c12
InChIInChI=1S/C17H12Cl3FN2O4/c18-10-3-8(21)4-11(19)15(10)23-9(7-25)5-13(26)14-16(23)12(20)6-22-17(14)27-2-1-24/h3-6,24-25H,1-2,7H2
InChIKeyMHXJMDYNADZPBS-UHFFFAOYSA-N
MW433.65 g/mol
LogP3.35
Rot. Bonds5

About 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-(2-hydroxyethoxy)-2-(hydroxymethyl)-1,6-naphthyridin-4-one

8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-(2-hydroxyethoxy)-2-(hydroxymethyl)-1,6-naphthyridin-4-one (PubChem CID 134453210) has the molecular formula C17H12Cl3FN2O4 and a molecular weight of 433.65 g/mol. Its IUPAC name is 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-(2-hydroxyethoxy)-2-(hydroxymethyl)-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-(2-hydroxyethoxy)-2-(hydroxymethyl)-1,6-naphthyridin-4-one
PubChem CID134453210
Molecular FormulaC17H12Cl3FN2O4
Molecular Weight433.65 g/mol
Exact Mass431.98
IUPAC Name8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-(2-hydroxyethoxy)-2-(hydroxymethyl)-1,6-naphthyridin-4-one
SMILESO=c1cc(CO)n(-c2c(Cl)cc(F)cc2Cl)c2c(Cl)cnc(OCCO)c12
InChIInChI=1S/C17H12Cl3FN2O4/c18-10-3-8(21)4-11(19)15(10)23-9(7-25)5-13(26)14-16(23)12(20)6-22-17(14)27-2-1-24/h3-6,24-25H,1-2,7H2
InChIKeyMHXJMDYNADZPBS-UHFFFAOYSA-N
XLogP3.35
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.65
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-(2-hydroxyethoxy)-2-(hydroxymethyl)-1,6-naphthyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-(2-hydroxyethoxy)-2-(hydroxymethyl)-1,6-naphthyridin-4-one?
The IUPAC name of 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-(2-hydroxyethoxy)-2-(hydroxymethyl)-1,6-naphthyridin-4-one (CID 134453210) is 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-(2-hydroxyethoxy)-2-(hydroxymethyl)-1,6-naphthyridin-4-one.
What is the SMILES notation for 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-(2-hydroxyethoxy)-2-(hydroxymethyl)-1,6-naphthyridin-4-one?
The canonical SMILES for 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-(2-hydroxyethoxy)-2-(hydroxymethyl)-1,6-naphthyridin-4-one is O=c1cc(CO)n(-c2c(Cl)cc(F)cc2Cl)c2c(Cl)cnc(OCCO)c12.
What is the InChIKey of 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-(2-hydroxyethoxy)-2-(hydroxymethyl)-1,6-naphthyridin-4-one?
The InChIKey is MHXJMDYNADZPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl3FN2O4/c18-10-3-8(21)4-11(19)15(10)23-9(7-25)5-13(26)14-16(23)12(20)6-22-17(14)27-2-1-24/h3-6,24-25H,1-2,7H2.
What are the key properties of 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-(2-hydroxyethoxy)-2-(hydroxymethyl)-1,6-naphthyridin-4-one?
8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-(2-hydroxyethoxy)-2-(hydroxymethyl)-1,6-naphthyridin-4-one has a molecular weight of 433.65 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-(2-hydroxyethoxy)-2-(hydroxymethyl)-1,6-naphthyridin-4-one is sourced from PubChem (CID 134453210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).