4-bromo-8-chloro-1-(3-fluorophenoxy)-2,7-naphthyridine

C14H7BrClFN2O — CID 118888052

IUPAC4-bromo-8-chloro-1-(3-fluorophenoxy)-2,7-naphthyridine
SMILESFc1cccc(Oc2ncc(Br)c3ccnc(Cl)c23)c1
InChIInChI=1S/C14H7BrClFN2O/c15-11-7-19-14(12-10(11)4-5-18-13(12)16)20-9-3-1-2-8(17)6-9/h1-7H
InChIKeyUXXIYFQFYRTEBG-UHFFFAOYSA-N
MW353.58 g/mol
LogP4.98
Rot. Bonds2

About 4-bromo-8-chloro-1-(3-fluorophenoxy)-2,7-naphthyridine

4-bromo-8-chloro-1-(3-fluorophenoxy)-2,7-naphthyridine (PubChem CID 118888052) has the molecular formula C14H7BrClFN2O and a molecular weight of 353.58 g/mol. Its IUPAC name is 4-bromo-8-chloro-1-(3-fluorophenoxy)-2,7-naphthyridine.

Molecular Properties

Compound Name4-bromo-8-chloro-1-(3-fluorophenoxy)-2,7-naphthyridine
PubChem CID118888052
Molecular FormulaC14H7BrClFN2O
Molecular Weight353.58 g/mol
Exact Mass351.94
IUPAC Name4-bromo-8-chloro-1-(3-fluorophenoxy)-2,7-naphthyridine
SMILESFc1cccc(Oc2ncc(Br)c3ccnc(Cl)c23)c1
InChIInChI=1S/C14H7BrClFN2O/c15-11-7-19-14(12-10(11)4-5-18-13(12)16)20-9-3-1-2-8(17)6-9/h1-7H
InChIKeyUXXIYFQFYRTEBG-UHFFFAOYSA-N
XLogP4.98
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.58
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-bromo-8-chloro-1-(3-fluorophenoxy)-2,7-naphthyridine 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 4-bromo-8-chloro-1-(3-fluorophenoxy)-2,7-naphthyridine?
The IUPAC name of 4-bromo-8-chloro-1-(3-fluorophenoxy)-2,7-naphthyridine (CID 118888052) is 4-bromo-8-chloro-1-(3-fluorophenoxy)-2,7-naphthyridine.
What is the SMILES notation for 4-bromo-8-chloro-1-(3-fluorophenoxy)-2,7-naphthyridine?
The canonical SMILES for 4-bromo-8-chloro-1-(3-fluorophenoxy)-2,7-naphthyridine is Fc1cccc(Oc2ncc(Br)c3ccnc(Cl)c23)c1.
What is the InChIKey of 4-bromo-8-chloro-1-(3-fluorophenoxy)-2,7-naphthyridine?
The InChIKey is UXXIYFQFYRTEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClFN2O/c15-11-7-19-14(12-10(11)4-5-18-13(12)16)20-9-3-1-2-8(17)6-9/h1-7H.
What are the key properties of 4-bromo-8-chloro-1-(3-fluorophenoxy)-2,7-naphthyridine?
4-bromo-8-chloro-1-(3-fluorophenoxy)-2,7-naphthyridine has a molecular weight of 353.58 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-8-chloro-1-(3-fluorophenoxy)-2,7-naphthyridine is sourced from PubChem (CID 118888052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).