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

C20H10Cl3FN2O — CID 22648197

IUPAC7-chloro-1-(2,6-dichlorophenyl)-5-(2-fluorophenyl)-1,8-naphthyridin-2-one
SMILESO=c1ccc2c(-c3ccccc3F)cc(Cl)nc2n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C20H10Cl3FN2O/c21-14-5-3-6-15(22)19(14)26-18(27)9-8-12-13(10-17(23)25-20(12)26)11-4-1-2-7-16(11)24/h1-10H
InChIKeyQQOZFBJMHXHLJH-UHFFFAOYSA-N
MW419.67 g/mol
LogP6.15
Rot. Bonds2

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

7-chloro-1-(2,6-dichlorophenyl)-5-(2-fluorophenyl)-1,8-naphthyridin-2-one (PubChem CID 22648197) has the molecular formula C20H10Cl3FN2O and a molecular weight of 419.67 g/mol. Its IUPAC name is 7-chloro-1-(2,6-dichlorophenyl)-5-(2-fluorophenyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-1-(2,6-dichlorophenyl)-5-(2-fluorophenyl)-1,8-naphthyridin-2-one
PubChem CID22648197
Molecular FormulaC20H10Cl3FN2O
Molecular Weight419.67 g/mol
Exact Mass417.98
IUPAC Name7-chloro-1-(2,6-dichlorophenyl)-5-(2-fluorophenyl)-1,8-naphthyridin-2-one
SMILESO=c1ccc2c(-c3ccccc3F)cc(Cl)nc2n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C20H10Cl3FN2O/c21-14-5-3-6-15(22)19(14)26-18(27)9-8-12-13(10-17(23)25-20(12)26)11-4-1-2-7-16(11)24/h1-10H
InChIKeyQQOZFBJMHXHLJH-UHFFFAOYSA-N
XLogP6.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.67
LogP ≤ 56.15
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-1-(2,6-dichlorophenyl)-5-(2-fluorophenyl)-1,8-naphthyridin-2-one?
The IUPAC name of 7-chloro-1-(2,6-dichlorophenyl)-5-(2-fluorophenyl)-1,8-naphthyridin-2-one (CID 22648197) is 7-chloro-1-(2,6-dichlorophenyl)-5-(2-fluorophenyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-1-(2,6-dichlorophenyl)-5-(2-fluorophenyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 7-chloro-1-(2,6-dichlorophenyl)-5-(2-fluorophenyl)-1,8-naphthyridin-2-one is O=c1ccc2c(-c3ccccc3F)cc(Cl)nc2n1-c1c(Cl)cccc1Cl.
What is the InChIKey of 7-chloro-1-(2,6-dichlorophenyl)-5-(2-fluorophenyl)-1,8-naphthyridin-2-one?
The InChIKey is QQOZFBJMHXHLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl3FN2O/c21-14-5-3-6-15(22)19(14)26-18(27)9-8-12-13(10-17(23)25-20(12)26)11-4-1-2-7-16(11)24/h1-10H.
What are the key properties of 7-chloro-1-(2,6-dichlorophenyl)-5-(2-fluorophenyl)-1,8-naphthyridin-2-one?
7-chloro-1-(2,6-dichlorophenyl)-5-(2-fluorophenyl)-1,8-naphthyridin-2-one has a molecular weight of 419.67 g/mol, XLogP of 6.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2,6-dichlorophenyl)-5-(2-fluorophenyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 22648197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).