6-fluoro-4-morpholin-4-ylpyridin-3-amine

C9H12FN3O — CID 118064177

IUPAC6-fluoro-4-morpholin-4-ylpyridin-3-amine
SMILESNc1cnc(F)cc1N1CCOCC1
InChIInChI=1S/C9H12FN3O/c10-9-5-8(7(11)6-12-9)13-1-3-14-4-2-13/h5-6H,1-4,11H2
InChIKeyXBIQVDQWHXYPPL-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.64
Rot. Bonds1

About 6-fluoro-4-morpholin-4-ylpyridin-3-amine

6-fluoro-4-morpholin-4-ylpyridin-3-amine (PubChem CID 118064177) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 6-fluoro-4-morpholin-4-ylpyridin-3-amine.

Molecular Properties

Compound Name6-fluoro-4-morpholin-4-ylpyridin-3-amine
PubChem CID118064177
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name6-fluoro-4-morpholin-4-ylpyridin-3-amine
SMILESNc1cnc(F)cc1N1CCOCC1
InChIInChI=1S/C9H12FN3O/c10-9-5-8(7(11)6-12-9)13-1-3-14-4-2-13/h5-6H,1-4,11H2
InChIKeyXBIQVDQWHXYPPL-UHFFFAOYSA-N
XLogP0.64
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-fluoro-4-morpholin-4-ylpyridin-3-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 6-fluoro-4-morpholin-4-ylpyridin-3-amine?
The IUPAC name of 6-fluoro-4-morpholin-4-ylpyridin-3-amine (CID 118064177) is 6-fluoro-4-morpholin-4-ylpyridin-3-amine.
What is the SMILES notation for 6-fluoro-4-morpholin-4-ylpyridin-3-amine?
The canonical SMILES for 6-fluoro-4-morpholin-4-ylpyridin-3-amine is Nc1cnc(F)cc1N1CCOCC1.
What is the InChIKey of 6-fluoro-4-morpholin-4-ylpyridin-3-amine?
The InChIKey is XBIQVDQWHXYPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c10-9-5-8(7(11)6-12-9)13-1-3-14-4-2-13/h5-6H,1-4,11H2.
What are the key properties of 6-fluoro-4-morpholin-4-ylpyridin-3-amine?
6-fluoro-4-morpholin-4-ylpyridin-3-amine has a molecular weight of 197.21 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-morpholin-4-ylpyridin-3-amine is sourced from PubChem (CID 118064177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).