4-(5-bromo-2-fluoro-3-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-2-amine

C9H9BrFN3O — CID 144693159

IUPAC4-(5-bromo-2-fluoro-3-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-2-amine
SMILESNC1=NC(c2cc(Br)cnc2F)CCO1
InChIInChI=1S/C9H9BrFN3O/c10-5-3-6(8(11)13-4-5)7-1-2-15-9(12)14-7/h3-4,7H,1-2H2,(H2,12,14)
InChIKeyMZFFZPIAJZOBMT-UHFFFAOYSA-N
MW274.09 g/mol
LogP1.76
Rot. Bonds1

About 4-(5-bromo-2-fluoro-3-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-2-amine

4-(5-bromo-2-fluoro-3-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-2-amine (PubChem CID 144693159) has the molecular formula C9H9BrFN3O and a molecular weight of 274.09 g/mol. Its IUPAC name is 4-(5-bromo-2-fluoro-3-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-2-amine.

Molecular Properties

Compound Name4-(5-bromo-2-fluoro-3-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-2-amine
PubChem CID144693159
Molecular FormulaC9H9BrFN3O
Molecular Weight274.09 g/mol
Exact Mass272.99
IUPAC Name4-(5-bromo-2-fluoro-3-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-2-amine
SMILESNC1=NC(c2cc(Br)cnc2F)CCO1
InChIInChI=1S/C9H9BrFN3O/c10-5-3-6(8(11)13-4-5)7-1-2-15-9(12)14-7/h3-4,7H,1-2H2,(H2,12,14)
InChIKeyMZFFZPIAJZOBMT-UHFFFAOYSA-N
XLogP1.76
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.09
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluoro-3-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-2-amine?
The IUPAC name of 4-(5-bromo-2-fluoro-3-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-2-amine (CID 144693159) is 4-(5-bromo-2-fluoro-3-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-2-amine.
What is the SMILES notation for 4-(5-bromo-2-fluoro-3-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-2-amine?
The canonical SMILES for 4-(5-bromo-2-fluoro-3-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-2-amine is NC1=NC(c2cc(Br)cnc2F)CCO1.
What is the InChIKey of 4-(5-bromo-2-fluoro-3-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-2-amine?
The InChIKey is MZFFZPIAJZOBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN3O/c10-5-3-6(8(11)13-4-5)7-1-2-15-9(12)14-7/h3-4,7H,1-2H2,(H2,12,14).
What are the key properties of 4-(5-bromo-2-fluoro-3-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-2-amine?
4-(5-bromo-2-fluoro-3-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-2-amine has a molecular weight of 274.09 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluoro-3-pyridinyl)-5,6-dihydro-4H-1,3-oxazin-2-amine is sourced from PubChem (CID 144693159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).