(3-bromoimidazo[1,2-b]pyridazin-6-yl)methanol

C7H6BrN3O — CID 130047290

IUPAC(3-bromoimidazo[1,2-b]pyridazin-6-yl)methanol
SMILESOCc1ccc2ncc(Br)n2n1
InChIInChI=1S/C7H6BrN3O/c8-6-3-9-7-2-1-5(4-12)10-11(6)7/h1-3,12H,4H2
InChIKeyUGWRWWKEVHCEIC-UHFFFAOYSA-N
MW228.05 g/mol
LogP0.98
Rot. Bonds1

About (3-bromoimidazo[1,2-b]pyridazin-6-yl)methanol

(3-bromoimidazo[1,2-b]pyridazin-6-yl)methanol (PubChem CID 130047290) has the molecular formula C7H6BrN3O and a molecular weight of 228.05 g/mol. Its IUPAC name is (3-bromoimidazo[1,2-b]pyridazin-6-yl)methanol.

Molecular Properties

Compound Name(3-bromoimidazo[1,2-b]pyridazin-6-yl)methanol
PubChem CID130047290
Molecular FormulaC7H6BrN3O
Molecular Weight228.05 g/mol
Exact Mass226.97
IUPAC Name(3-bromoimidazo[1,2-b]pyridazin-6-yl)methanol
SMILESOCc1ccc2ncc(Br)n2n1
InChIInChI=1S/C7H6BrN3O/c8-6-3-9-7-2-1-5(4-12)10-11(6)7/h1-3,12H,4H2
InChIKeyUGWRWWKEVHCEIC-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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Frequently Asked Questions

What is the IUPAC name of (3-bromoimidazo[1,2-b]pyridazin-6-yl)methanol?
The IUPAC name of (3-bromoimidazo[1,2-b]pyridazin-6-yl)methanol (CID 130047290) is (3-bromoimidazo[1,2-b]pyridazin-6-yl)methanol.
What is the SMILES notation for (3-bromoimidazo[1,2-b]pyridazin-6-yl)methanol?
The canonical SMILES for (3-bromoimidazo[1,2-b]pyridazin-6-yl)methanol is OCc1ccc2ncc(Br)n2n1.
What is the InChIKey of (3-bromoimidazo[1,2-b]pyridazin-6-yl)methanol?
The InChIKey is UGWRWWKEVHCEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O/c8-6-3-9-7-2-1-5(4-12)10-11(6)7/h1-3,12H,4H2.
What are the key properties of (3-bromoimidazo[1,2-b]pyridazin-6-yl)methanol?
(3-bromoimidazo[1,2-b]pyridazin-6-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-6-yl)methanol is sourced from PubChem (CID 130047290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).