[8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-methoxymethanol

C14H11BrFN3O2 — CID 123169534

IUPAC[8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-methoxymethanol
SMILESCOC(O)c1cn2nc(-c3ccc(F)cc3)cc(Br)c2n1
InChIInChI=1S/C14H11BrFN3O2/c1-21-14(20)12-7-19-13(17-12)10(15)6-11(18-19)8-2-4-9(16)5-3-8/h2-7,14,20H,1H3
InChIKeyJNBKSSVVEXFPAN-UHFFFAOYSA-N
MW352.16 g/mol
LogP2.94
Rot. Bonds3

About [8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-methoxymethanol

[8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-methoxymethanol (PubChem CID 123169534) has the molecular formula C14H11BrFN3O2 and a molecular weight of 352.16 g/mol. Its IUPAC name is [8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-methoxymethanol.

Molecular Properties

Compound Name[8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-methoxymethanol
PubChem CID123169534
Molecular FormulaC14H11BrFN3O2
Molecular Weight352.16 g/mol
Exact Mass351.00
IUPAC Name[8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-methoxymethanol
SMILESCOC(O)c1cn2nc(-c3ccc(F)cc3)cc(Br)c2n1
InChIInChI=1S/C14H11BrFN3O2/c1-21-14(20)12-7-19-13(17-12)10(15)6-11(18-19)8-2-4-9(16)5-3-8/h2-7,14,20H,1H3
InChIKeyJNBKSSVVEXFPAN-UHFFFAOYSA-N
XLogP2.94
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.16
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-methoxymethanol?
The IUPAC name of [8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-methoxymethanol (CID 123169534) is [8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-methoxymethanol.
What is the SMILES notation for [8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-methoxymethanol?
The canonical SMILES for [8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-methoxymethanol is COC(O)c1cn2nc(-c3ccc(F)cc3)cc(Br)c2n1.
What is the InChIKey of [8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-methoxymethanol?
The InChIKey is JNBKSSVVEXFPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3O2/c1-21-14(20)12-7-19-13(17-12)10(15)6-11(18-19)8-2-4-9(16)5-3-8/h2-7,14,20H,1H3.
What are the key properties of [8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-methoxymethanol?
[8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-methoxymethanol has a molecular weight of 352.16 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-methoxymethanol is sourced from PubChem (CID 123169534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).