2-(6-amino-5-bromopyridazin-3-yl)ethanol

C6H8BrN3O — CID 117104979

IUPAC2-(6-amino-5-bromopyridazin-3-yl)ethanol
SMILESNc1nnc(CCO)cc1Br
InChIInChI=1S/C6H8BrN3O/c7-5-3-4(1-2-11)9-10-6(5)8/h3,11H,1-2H2,(H2,8,10)
InChIKeyVDSNYLDYFKIOMH-UHFFFAOYSA-N
MW218.05 g/mol
LogP0.36
Rot. Bonds2

About 2-(6-amino-5-bromopyridazin-3-yl)ethanol

2-(6-amino-5-bromopyridazin-3-yl)ethanol (PubChem CID 117104979) has the molecular formula C6H8BrN3O and a molecular weight of 218.05 g/mol. Its IUPAC name is 2-(6-amino-5-bromopyridazin-3-yl)ethanol.

Molecular Properties

Compound Name2-(6-amino-5-bromopyridazin-3-yl)ethanol
PubChem CID117104979
Molecular FormulaC6H8BrN3O
Molecular Weight218.05 g/mol
Exact Mass216.99
IUPAC Name2-(6-amino-5-bromopyridazin-3-yl)ethanol
SMILESNc1nnc(CCO)cc1Br
InChIInChI=1S/C6H8BrN3O/c7-5-3-4(1-2-11)9-10-6(5)8/h3,11H,1-2H2,(H2,8,10)
InChIKeyVDSNYLDYFKIOMH-UHFFFAOYSA-N
XLogP0.36
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-bromopyridazin-3-yl)ethanol?
The IUPAC name of 2-(6-amino-5-bromopyridazin-3-yl)ethanol (CID 117104979) is 2-(6-amino-5-bromopyridazin-3-yl)ethanol.
What is the SMILES notation for 2-(6-amino-5-bromopyridazin-3-yl)ethanol?
The canonical SMILES for 2-(6-amino-5-bromopyridazin-3-yl)ethanol is Nc1nnc(CCO)cc1Br.
What is the InChIKey of 2-(6-amino-5-bromopyridazin-3-yl)ethanol?
The InChIKey is VDSNYLDYFKIOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O/c7-5-3-4(1-2-11)9-10-6(5)8/h3,11H,1-2H2,(H2,8,10).
What are the key properties of 2-(6-amino-5-bromopyridazin-3-yl)ethanol?
2-(6-amino-5-bromopyridazin-3-yl)ethanol has a molecular weight of 218.05 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-bromopyridazin-3-yl)ethanol is sourced from PubChem (CID 117104979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).