2-[[6-(2-bromophenyl)pyridazin-3-yl]-methylamino]ethanol

C13H14BrN3O — CID 116973651

IUPAC2-[[6-(2-bromophenyl)pyridazin-3-yl]-methylamino]ethanol
SMILESCN(CCO)c1ccc(-c2ccccc2Br)nn1
InChIInChI=1S/C13H14BrN3O/c1-17(8-9-18)13-7-6-12(15-16-13)10-4-2-3-5-11(10)14/h2-7,18H,8-9H2,1H3
InChIKeyVBBSOJQSXLCKAN-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.33
Rot. Bonds4

About 2-[[6-(2-bromophenyl)pyridazin-3-yl]-methylamino]ethanol

2-[[6-(2-bromophenyl)pyridazin-3-yl]-methylamino]ethanol (PubChem CID 116973651) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-[[6-(2-bromophenyl)pyridazin-3-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[6-(2-bromophenyl)pyridazin-3-yl]-methylamino]ethanol
PubChem CID116973651
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name2-[[6-(2-bromophenyl)pyridazin-3-yl]-methylamino]ethanol
SMILESCN(CCO)c1ccc(-c2ccccc2Br)nn1
InChIInChI=1S/C13H14BrN3O/c1-17(8-9-18)13-7-6-12(15-16-13)10-4-2-3-5-11(10)14/h2-7,18H,8-9H2,1H3
InChIKeyVBBSOJQSXLCKAN-UHFFFAOYSA-N
XLogP2.33
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-(6-phenylpyridazin-3-yl)amino]propan-1-ol
CID 116973664
2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol
CID 116973631
2-[methyl-[6-(2-methylphenyl)pyridazin-3-yl]amino]acetonitrile
CID 116973901
6-(2-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyridazin-3-amine
CID 116973496
2-[(6-cyclobutylpyridazin-3-yl)-methylamino]ethanol
CID 116973655
2-[[6-(2-bromophenyl)pyridazin-3-yl]amino]acetonitrile
CID 116971899
N'-[6-(4-bromophenyl)pyridazin-3-yl]-N,N'-dimethylpropane-1,3-diamine
CID 116973442
3-[[6-(4-fluorophenyl)pyridazin-3-yl]-methylamino]propan-1-ol
CID 116973666
2-[methyl-[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol
CID 116973650
3-[methyl-[6-(5-methylfuran-2-yl)pyridazin-3-yl]amino]propan-1-ol
CID 116973681
3-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]propan-1-ol
CID 116973670
N'-[6-(5-bromo-2-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine
CID 116973250

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-bromophenyl)pyridazin-3-yl]-methylamino]ethanol?
The IUPAC name of 2-[[6-(2-bromophenyl)pyridazin-3-yl]-methylamino]ethanol (CID 116973651) is 2-[[6-(2-bromophenyl)pyridazin-3-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[6-(2-bromophenyl)pyridazin-3-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[6-(2-bromophenyl)pyridazin-3-yl]-methylamino]ethanol is CN(CCO)c1ccc(-c2ccccc2Br)nn1.
What is the InChIKey of 2-[[6-(2-bromophenyl)pyridazin-3-yl]-methylamino]ethanol?
The InChIKey is VBBSOJQSXLCKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-17(8-9-18)13-7-6-12(15-16-13)10-4-2-3-5-11(10)14/h2-7,18H,8-9H2,1H3.
What are the key properties of 2-[[6-(2-bromophenyl)pyridazin-3-yl]-methylamino]ethanol?
2-[[6-(2-bromophenyl)pyridazin-3-yl]-methylamino]ethanol has a molecular weight of 308.18 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-bromophenyl)pyridazin-3-yl]-methylamino]ethanol is sourced from PubChem (CID 116973651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).