[3-bromo-6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine

C13H9BrF2N4 — CID 116821818

IUPAC[3-bromo-6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine
SMILESNCc1nc2ccc(-c3ccc(F)c(F)c3)nn2c1Br
InChIInChI=1S/C13H9BrF2N4/c14-13-11(6-17)18-12-4-3-10(19-20(12)13)7-1-2-8(15)9(16)5-7/h1-5H,6,17H2
InChIKeyDTUDGEIMJIBSLW-UHFFFAOYSA-N
MW339.14 g/mol
LogP2.90
Rot. Bonds2

About [3-bromo-6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine

[3-bromo-6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine (PubChem CID 116821818) has the molecular formula C13H9BrF2N4 and a molecular weight of 339.14 g/mol. Its IUPAC name is [3-bromo-6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-bromo-6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine
PubChem CID116821818
Molecular FormulaC13H9BrF2N4
Molecular Weight339.14 g/mol
Exact Mass338.00
IUPAC Name[3-bromo-6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine
SMILESNCc1nc2ccc(-c3ccc(F)c(F)c3)nn2c1Br
InChIInChI=1S/C13H9BrF2N4/c14-13-11(6-17)18-12-4-3-10(19-20(12)13)7-1-2-8(15)9(16)5-7/h1-5H,6,17H2
InChIKeyDTUDGEIMJIBSLW-UHFFFAOYSA-N
XLogP2.90
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.14
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-bromo-6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine?
The IUPAC name of [3-bromo-6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine (CID 116821818) is [3-bromo-6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine.
What is the SMILES notation for [3-bromo-6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine?
The canonical SMILES for [3-bromo-6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine is NCc1nc2ccc(-c3ccc(F)c(F)c3)nn2c1Br.
What is the InChIKey of [3-bromo-6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine?
The InChIKey is DTUDGEIMJIBSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N4/c14-13-11(6-17)18-12-4-3-10(19-20(12)13)7-1-2-8(15)9(16)5-7/h1-5H,6,17H2.
What are the key properties of [3-bromo-6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine?
[3-bromo-6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine has a molecular weight of 339.14 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine is sourced from PubChem (CID 116821818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).