(3-bromoimidazo[1,2-b]pyridazin-2-yl)methanol

C7H6BrN3O — CID 84691656

IUPAC(3-bromoimidazo[1,2-b]pyridazin-2-yl)methanol
SMILESOCc1nc2cccnn2c1Br
InChIInChI=1S/C7H6BrN3O/c8-7-5(4-12)10-6-2-1-3-9-11(6)7/h1-3,12H,4H2
InChIKeyHBQWUARAWVSFOO-UHFFFAOYSA-N
MW228.05 g/mol
LogP0.98
Rot. Bonds1

About (3-bromoimidazo[1,2-b]pyridazin-2-yl)methanol

(3-bromoimidazo[1,2-b]pyridazin-2-yl)methanol (PubChem CID 84691656) has the molecular formula C7H6BrN3O and a molecular weight of 228.05 g/mol. Its IUPAC name is (3-bromoimidazo[1,2-b]pyridazin-2-yl)methanol.

Molecular Properties

Compound Name(3-bromoimidazo[1,2-b]pyridazin-2-yl)methanol
PubChem CID84691656
Molecular FormulaC7H6BrN3O
Molecular Weight228.05 g/mol
Exact Mass226.97
IUPAC Name(3-bromoimidazo[1,2-b]pyridazin-2-yl)methanol
SMILESOCc1nc2cccnn2c1Br
InChIInChI=1S/C7H6BrN3O/c8-7-5(4-12)10-6-2-1-3-9-11(6)7/h1-3,12H,4H2
InChIKeyHBQWUARAWVSFOO-UHFFFAOYSA-N
XLogP0.98
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.05
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloroimidazo[1,2-b]pyridazin-2-yl)-N-methylmethanamine
CID 84667266
3-(3-chloroimidazo[1,2-b]pyridazin-2-yl)-2-methylpropanoic acid
CID 84701548
2-methylimidazo[1,2-b]pyridazin-3-amine;hydrochloride
CID 122129766
methyl 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetate
CID 103294346
2-amino-1-(3-chloroimidazo[1,2-b]pyridazin-2-yl)ethanone
CID 84678015
2-methoxyimidazo[1,2-b]pyridazine-3-carboxamide
CID 163365302
3-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one;(3-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl acetate
CID 161408506
2-bromo-[1,2,4]triazolo[1,5-b]pyridazine
CID 170901694
(7-bromo-3-chloroimidazo[1,2-a]pyridin-2-yl)methanol
CID 156822587
(7-bromo-3-methylimidazo[1,2-a]pyridin-2-yl)methanol
CID 115044017
3-methoxy-2-propan-2-ylimidazo[1,2-b]pyridazine
CID 149069940
2,3-ditert-butylimidazo[1,2-b]pyridazine
CID 71288892

Frequently Asked Questions

What is the IUPAC name of (3-bromoimidazo[1,2-b]pyridazin-2-yl)methanol?
The IUPAC name of (3-bromoimidazo[1,2-b]pyridazin-2-yl)methanol (CID 84691656) is (3-bromoimidazo[1,2-b]pyridazin-2-yl)methanol.
What is the SMILES notation for (3-bromoimidazo[1,2-b]pyridazin-2-yl)methanol?
The canonical SMILES for (3-bromoimidazo[1,2-b]pyridazin-2-yl)methanol is OCc1nc2cccnn2c1Br.
What is the InChIKey of (3-bromoimidazo[1,2-b]pyridazin-2-yl)methanol?
The InChIKey is HBQWUARAWVSFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O/c8-7-5(4-12)10-6-2-1-3-9-11(6)7/h1-3,12H,4H2.
What are the key properties of (3-bromoimidazo[1,2-b]pyridazin-2-yl)methanol?
(3-bromoimidazo[1,2-b]pyridazin-2-yl)methanol has a molecular weight of 228.05 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromoimidazo[1,2-b]pyridazin-2-yl)methanol is sourced from PubChem (CID 84691656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).