3-(5-amino-2-bromo-4-fluorophenyl)-7-chloro-1H-1,6-naphthyridin-2-one

C14H8BrClFN3O — CID 155198035

IUPAC3-(5-amino-2-bromo-4-fluorophenyl)-7-chloro-1H-1,6-naphthyridin-2-one
SMILESNc1cc(-c2cc3cnc(Cl)cc3[nH]c2=O)c(Br)cc1F
InChIInChI=1S/C14H8BrClFN3O/c15-9-3-10(17)11(18)2-7(9)8-1-6-5-19-13(16)4-12(6)20-14(8)21/h1-5H,18H2,(H,20,21)
InChIKeyMKSXPFSIOBIHRP-UHFFFAOYSA-N
MW368.59 g/mol
LogP3.73
Rot. Bonds1

About 3-(5-amino-2-bromo-4-fluorophenyl)-7-chloro-1H-1,6-naphthyridin-2-one

3-(5-amino-2-bromo-4-fluorophenyl)-7-chloro-1H-1,6-naphthyridin-2-one (PubChem CID 155198035) has the molecular formula C14H8BrClFN3O and a molecular weight of 368.59 g/mol. Its IUPAC name is 3-(5-amino-2-bromo-4-fluorophenyl)-7-chloro-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(5-amino-2-bromo-4-fluorophenyl)-7-chloro-1H-1,6-naphthyridin-2-one
PubChem CID155198035
Molecular FormulaC14H8BrClFN3O
Molecular Weight368.59 g/mol
Exact Mass366.95
IUPAC Name3-(5-amino-2-bromo-4-fluorophenyl)-7-chloro-1H-1,6-naphthyridin-2-one
SMILESNc1cc(-c2cc3cnc(Cl)cc3[nH]c2=O)c(Br)cc1F
InChIInChI=1S/C14H8BrClFN3O/c15-9-3-10(17)11(18)2-7(9)8-1-6-5-19-13(16)4-12(6)20-14(8)21/h1-5H,18H2,(H,20,21)
InChIKeyMKSXPFSIOBIHRP-UHFFFAOYSA-N
XLogP3.73
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(5-amino-2-bromo-4-fluorophenyl)-7-chloro-1H-1,6-naphthyridin-2-one 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 3-(5-amino-2-bromo-4-fluorophenyl)-7-chloro-1H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(5-amino-2-bromo-4-fluorophenyl)-7-chloro-1H-1,6-naphthyridin-2-one (CID 155198035) is 3-(5-amino-2-bromo-4-fluorophenyl)-7-chloro-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(5-amino-2-bromo-4-fluorophenyl)-7-chloro-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(5-amino-2-bromo-4-fluorophenyl)-7-chloro-1H-1,6-naphthyridin-2-one is Nc1cc(-c2cc3cnc(Cl)cc3[nH]c2=O)c(Br)cc1F.
What is the InChIKey of 3-(5-amino-2-bromo-4-fluorophenyl)-7-chloro-1H-1,6-naphthyridin-2-one?
The InChIKey is MKSXPFSIOBIHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClFN3O/c15-9-3-10(17)11(18)2-7(9)8-1-6-5-19-13(16)4-12(6)20-14(8)21/h1-5H,18H2,(H,20,21).
What are the key properties of 3-(5-amino-2-bromo-4-fluorophenyl)-7-chloro-1H-1,6-naphthyridin-2-one?
3-(5-amino-2-bromo-4-fluorophenyl)-7-chloro-1H-1,6-naphthyridin-2-one has a molecular weight of 368.59 g/mol, XLogP of 3.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-bromo-4-fluorophenyl)-7-chloro-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 155198035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).