5-bromo-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-8-amine

C13H8BrFN4 — CID 146027031

IUPAC5-bromo-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-8-amine
SMILESNc1ncc(Br)c2ccc(-c3ccnc(F)c3)nc12
InChIInChI=1S/C13H8BrFN4/c14-9-6-18-13(16)12-8(9)1-2-10(19-12)7-3-4-17-11(15)5-7/h1-6H,(H2,16,18)
InChIKeyKARJFNUGCLEZKM-UHFFFAOYSA-N
MW319.14 g/mol
LogP3.18
Rot. Bonds1

About 5-bromo-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-8-amine

5-bromo-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-8-amine (PubChem CID 146027031) has the molecular formula C13H8BrFN4 and a molecular weight of 319.14 g/mol. Its IUPAC name is 5-bromo-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-8-amine.

Molecular Properties

Compound Name5-bromo-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-8-amine
PubChem CID146027031
Molecular FormulaC13H8BrFN4
Molecular Weight319.14 g/mol
Exact Mass317.99
IUPAC Name5-bromo-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-8-amine
SMILESNc1ncc(Br)c2ccc(-c3ccnc(F)c3)nc12
InChIInChI=1S/C13H8BrFN4/c14-9-6-18-13(16)12-8(9)1-2-10(19-12)7-3-4-17-11(15)5-7/h1-6H,(H2,16,18)
InChIKeyKARJFNUGCLEZKM-UHFFFAOYSA-N
XLogP3.18
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-8-amine 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 5-bromo-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-8-amine?
The IUPAC name of 5-bromo-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-8-amine (CID 146027031) is 5-bromo-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-8-amine.
What is the SMILES notation for 5-bromo-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-8-amine?
The canonical SMILES for 5-bromo-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-8-amine is Nc1ncc(Br)c2ccc(-c3ccnc(F)c3)nc12.
What is the InChIKey of 5-bromo-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-8-amine?
The InChIKey is KARJFNUGCLEZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN4/c14-9-6-18-13(16)12-8(9)1-2-10(19-12)7-3-4-17-11(15)5-7/h1-6H,(H2,16,18).
What are the key properties of 5-bromo-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-8-amine?
5-bromo-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-8-amine has a molecular weight of 319.14 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-8-amine is sourced from PubChem (CID 146027031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).