5,8-dichloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one

C15H7Cl4FN2O — CID 134453138

IUPAC5,8-dichloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one
SMILESCc1cc(=O)c2c(Cl)ncc(Cl)c2n1-c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C15H7Cl4FN2O/c1-6-2-11(23)12-14(10(18)5-21-15(12)19)22(6)13-8(16)3-7(20)4-9(13)17/h2-5H,1H3
InChIKeyONOSXCMNCHDYQC-UHFFFAOYSA-N
MW392.04 g/mol
LogP5.45
Rot. Bonds1

About 5,8-dichloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one

5,8-dichloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one (PubChem CID 134453138) has the molecular formula C15H7Cl4FN2O and a molecular weight of 392.04 g/mol. Its IUPAC name is 5,8-dichloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name5,8-dichloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one
PubChem CID134453138
Molecular FormulaC15H7Cl4FN2O
Molecular Weight392.04 g/mol
Exact Mass389.93
IUPAC Name5,8-dichloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one
SMILESCc1cc(=O)c2c(Cl)ncc(Cl)c2n1-c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C15H7Cl4FN2O/c1-6-2-11(23)12-14(10(18)5-21-15(12)19)22(6)13-8(16)3-7(20)4-9(13)17/h2-5H,1H3
InChIKeyONOSXCMNCHDYQC-UHFFFAOYSA-N
XLogP5.45
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.04
LogP ≤ 55.45
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 5,8-dichloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one?
The IUPAC name of 5,8-dichloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one (CID 134453138) is 5,8-dichloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 5,8-dichloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one?
The canonical SMILES for 5,8-dichloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one is Cc1cc(=O)c2c(Cl)ncc(Cl)c2n1-c1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 5,8-dichloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one?
The InChIKey is ONOSXCMNCHDYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl4FN2O/c1-6-2-11(23)12-14(10(18)5-21-15(12)19)22(6)13-8(16)3-7(20)4-9(13)17/h2-5H,1H3.
What are the key properties of 5,8-dichloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one?
5,8-dichloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one has a molecular weight of 392.04 g/mol, XLogP of 5.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 134453138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).