4,6-dibromo-N-butan-2-yl-2-ethanimidoylpyridin-3-amine

C11H15Br2N3 — CID 138746786

IUPAC4,6-dibromo-N-butan-2-yl-2-ethanimidoylpyridin-3-amine
SMILES[H]/N=C(\C)c1nc(Br)cc(Br)c1NC(C)CC
InChIInChI=1S/C11H15Br2N3/c1-4-6(2)15-11-8(12)5-9(13)16-10(11)7(3)14/h5-6,14-15H,4H2,1-3H3/b14-7+
InChIKeyRRZLFGUEFPRDKT-VGOFMYFVSA-N
MW349.07 g/mol
LogP4.20
Rot. Bonds4

About 4,6-dibromo-N-butan-2-yl-2-ethanimidoylpyridin-3-amine

4,6-dibromo-N-butan-2-yl-2-ethanimidoylpyridin-3-amine (PubChem CID 138746786) has the molecular formula C11H15Br2N3 and a molecular weight of 349.07 g/mol. Its IUPAC name is 4,6-dibromo-N-butan-2-yl-2-ethanimidoylpyridin-3-amine.

Molecular Properties

Compound Name4,6-dibromo-N-butan-2-yl-2-ethanimidoylpyridin-3-amine
PubChem CID138746786
Molecular FormulaC11H15Br2N3
Molecular Weight349.07 g/mol
Exact Mass346.96
IUPAC Name4,6-dibromo-N-butan-2-yl-2-ethanimidoylpyridin-3-amine
SMILES[H]/N=C(\C)c1nc(Br)cc(Br)c1NC(C)CC
InChIInChI=1S/C11H15Br2N3/c1-4-6(2)15-11-8(12)5-9(13)16-10(11)7(3)14/h5-6,14-15H,4H2,1-3H3/b14-7+
InChIKeyRRZLFGUEFPRDKT-VGOFMYFVSA-N
XLogP4.20
TPSA48.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.07
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4,6-dibromo-N-butan-2-yl-2-ethanimidoylpyridin-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 4,6-dibromo-N-butan-2-yl-2-ethanimidoylpyridin-3-amine?
The IUPAC name of 4,6-dibromo-N-butan-2-yl-2-ethanimidoylpyridin-3-amine (CID 138746786) is 4,6-dibromo-N-butan-2-yl-2-ethanimidoylpyridin-3-amine.
What is the SMILES notation for 4,6-dibromo-N-butan-2-yl-2-ethanimidoylpyridin-3-amine?
The canonical SMILES for 4,6-dibromo-N-butan-2-yl-2-ethanimidoylpyridin-3-amine is [H]/N=C(\C)c1nc(Br)cc(Br)c1NC(C)CC.
What is the InChIKey of 4,6-dibromo-N-butan-2-yl-2-ethanimidoylpyridin-3-amine?
The InChIKey is RRZLFGUEFPRDKT-VGOFMYFVSA-N. The full InChI is InChI=1S/C11H15Br2N3/c1-4-6(2)15-11-8(12)5-9(13)16-10(11)7(3)14/h5-6,14-15H,4H2,1-3H3/b14-7+.
What are the key properties of 4,6-dibromo-N-butan-2-yl-2-ethanimidoylpyridin-3-amine?
4,6-dibromo-N-butan-2-yl-2-ethanimidoylpyridin-3-amine has a molecular weight of 349.07 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-N-butan-2-yl-2-ethanimidoylpyridin-3-amine is sourced from PubChem (CID 138746786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).