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

C14H12BrN3O2 — CID 116854462

IUPAC[6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]methanol
SMILESCOc1ccc(-c2ccc3ncc(CO)n3n2)cc1Br
InChIInChI=1S/C14H12BrN3O2/c1-20-13-4-2-9(6-11(13)15)12-3-5-14-16-7-10(8-19)18(14)17-12/h2-7,19H,8H2,1H3
InChIKeyOMLCOXDKRXBOAB-UHFFFAOYSA-N
MW334.17 g/mol
LogP2.66
Rot. Bonds3

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

[6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]methanol (PubChem CID 116854462) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is [6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]methanol
PubChem CID116854462
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC Name[6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]methanol
SMILESCOc1ccc(-c2ccc3ncc(CO)n3n2)cc1Br
InChIInChI=1S/C14H12BrN3O2/c1-20-13-4-2-9(6-11(13)15)12-3-5-14-16-7-10(8-19)18(14)17-12/h2-7,19H,8H2,1H3
InChIKeyOMLCOXDKRXBOAB-UHFFFAOYSA-N
XLogP2.66
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]methanol?
The IUPAC name of [6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]methanol (CID 116854462) is [6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]methanol.
What is the SMILES notation for [6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]methanol?
The canonical SMILES for [6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]methanol is COc1ccc(-c2ccc3ncc(CO)n3n2)cc1Br.
What is the InChIKey of [6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]methanol?
The InChIKey is OMLCOXDKRXBOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c1-20-13-4-2-9(6-11(13)15)12-3-5-14-16-7-10(8-19)18(14)17-12/h2-7,19H,8H2,1H3.
What are the key properties of [6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]methanol?
[6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]methanol has a molecular weight of 334.17 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]methanol is sourced from PubChem (CID 116854462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).