7-chloro-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-1,8-naphthyridin-2-one

C20H9Cl4FN2O — CID 22647888

IUPAC7-chloro-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-1,8-naphthyridin-2-one
SMILESO=c1ccc2c(-c3ccc(F)cc3Cl)cc(Cl)nc2n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C20H9Cl4FN2O/c21-14-2-1-3-15(22)19(14)27-18(28)7-6-12-13(9-17(24)26-20(12)27)11-5-4-10(25)8-16(11)23/h1-9H
InChIKeyIUXSEWJVZFRBEF-UHFFFAOYSA-N
MW454.12 g/mol
LogP6.81
Rot. Bonds2

About 7-chloro-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-1,8-naphthyridin-2-one

7-chloro-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-1,8-naphthyridin-2-one (PubChem CID 22647888) has the molecular formula C20H9Cl4FN2O and a molecular weight of 454.12 g/mol. Its IUPAC name is 7-chloro-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-1,8-naphthyridin-2-one
PubChem CID22647888
Molecular FormulaC20H9Cl4FN2O
Molecular Weight454.12 g/mol
Exact Mass451.95
IUPAC Name7-chloro-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-1,8-naphthyridin-2-one
SMILESO=c1ccc2c(-c3ccc(F)cc3Cl)cc(Cl)nc2n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C20H9Cl4FN2O/c21-14-2-1-3-15(22)19(14)27-18(28)7-6-12-13(9-17(24)26-20(12)27)11-5-4-10(25)8-16(11)23/h1-9H
InChIKeyIUXSEWJVZFRBEF-UHFFFAOYSA-N
XLogP6.81
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.12
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloro-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-1,8-naphthyridin-2-one?
The IUPAC name of 7-chloro-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-1,8-naphthyridin-2-one (CID 22647888) is 7-chloro-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 7-chloro-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-1,8-naphthyridin-2-one is O=c1ccc2c(-c3ccc(F)cc3Cl)cc(Cl)nc2n1-c1c(Cl)cccc1Cl.
What is the InChIKey of 7-chloro-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-1,8-naphthyridin-2-one?
The InChIKey is IUXSEWJVZFRBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9Cl4FN2O/c21-14-2-1-3-15(22)19(14)27-18(28)7-6-12-13(9-17(24)26-20(12)27)11-5-4-10(25)8-16(11)23/h1-9H.
What are the key properties of 7-chloro-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-1,8-naphthyridin-2-one?
7-chloro-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-1,8-naphthyridin-2-one has a molecular weight of 454.12 g/mol, XLogP of 6.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 22647888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).