1-(7-bromo-1,5-naphthyridin-2-yl)-2-(5-chloro-2-fluorophenyl)ethane-1,2-dione

C16H7BrClFN2O2 — CID 146661882

IUPAC1-(7-bromo-1,5-naphthyridin-2-yl)-2-(5-chloro-2-fluorophenyl)ethane-1,2-dione
SMILESO=C(C(=O)c1cc(Cl)ccc1F)c1ccc2ncc(Br)cc2n1
InChIInChI=1S/C16H7BrClFN2O2/c17-8-5-14-12(20-7-8)3-4-13(21-14)16(23)15(22)10-6-9(18)1-2-11(10)19/h1-7H
InChIKeyMBFYMGMCZAFYLR-UHFFFAOYSA-N
MW393.60 g/mol
LogP4.25
Rot. Bonds3

About 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(5-chloro-2-fluorophenyl)ethane-1,2-dione

1-(7-bromo-1,5-naphthyridin-2-yl)-2-(5-chloro-2-fluorophenyl)ethane-1,2-dione (PubChem CID 146661882) has the molecular formula C16H7BrClFN2O2 and a molecular weight of 393.60 g/mol. Its IUPAC name is 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(5-chloro-2-fluorophenyl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(7-bromo-1,5-naphthyridin-2-yl)-2-(5-chloro-2-fluorophenyl)ethane-1,2-dione
PubChem CID146661882
Molecular FormulaC16H7BrClFN2O2
Molecular Weight393.60 g/mol
Exact Mass391.94
IUPAC Name1-(7-bromo-1,5-naphthyridin-2-yl)-2-(5-chloro-2-fluorophenyl)ethane-1,2-dione
SMILESO=C(C(=O)c1cc(Cl)ccc1F)c1ccc2ncc(Br)cc2n1
InChIInChI=1S/C16H7BrClFN2O2/c17-8-5-14-12(20-7-8)3-4-13(21-14)16(23)15(22)10-6-9(18)1-2-11(10)19/h1-7H
InChIKeyMBFYMGMCZAFYLR-UHFFFAOYSA-N
XLogP4.25
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.60
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(5-chloro-2-fluorophenyl)ethane-1,2-dione 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 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(5-chloro-2-fluorophenyl)ethane-1,2-dione?
The IUPAC name of 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(5-chloro-2-fluorophenyl)ethane-1,2-dione (CID 146661882) is 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(5-chloro-2-fluorophenyl)ethane-1,2-dione.
What is the SMILES notation for 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(5-chloro-2-fluorophenyl)ethane-1,2-dione?
The canonical SMILES for 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(5-chloro-2-fluorophenyl)ethane-1,2-dione is O=C(C(=O)c1cc(Cl)ccc1F)c1ccc2ncc(Br)cc2n1.
What is the InChIKey of 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(5-chloro-2-fluorophenyl)ethane-1,2-dione?
The InChIKey is MBFYMGMCZAFYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7BrClFN2O2/c17-8-5-14-12(20-7-8)3-4-13(21-14)16(23)15(22)10-6-9(18)1-2-11(10)19/h1-7H.
What are the key properties of 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(5-chloro-2-fluorophenyl)ethane-1,2-dione?
1-(7-bromo-1,5-naphthyridin-2-yl)-2-(5-chloro-2-fluorophenyl)ethane-1,2-dione has a molecular weight of 393.60 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(5-chloro-2-fluorophenyl)ethane-1,2-dione is sourced from PubChem (CID 146661882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).