2-[[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]amino]ethanol

C13H14BrN3O2 — CID 116971250

IUPAC2-[[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]amino]ethanol
SMILESCOc1ccc(-c2ccc(NCCO)nn2)cc1Br
InChIInChI=1S/C13H14BrN3O2/c1-19-12-4-2-9(8-10(12)14)11-3-5-13(17-16-11)15-6-7-18/h2-5,8,18H,6-7H2,1H3,(H,15,17)
InChIKeyAPMJRYXWRNSNIR-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.32
Rot. Bonds5

About 2-[[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]amino]ethanol

2-[[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]amino]ethanol (PubChem CID 116971250) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 2-[[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]amino]ethanol
PubChem CID116971250
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name2-[[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]amino]ethanol
SMILESCOc1ccc(-c2ccc(NCCO)nn2)cc1Br
InChIInChI=1S/C13H14BrN3O2/c1-19-12-4-2-9(8-10(12)14)11-3-5-13(17-16-11)15-6-7-18/h2-5,8,18H,6-7H2,1H3,(H,15,17)
InChIKeyAPMJRYXWRNSNIR-UHFFFAOYSA-N
XLogP2.32
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]amino]ethanol with MolForge

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Related Compounds

N'-[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine
CID 116970469
2-[[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]amino]acetonitrile
CID 116971838
6-(3,4-dimethoxyphenyl)-N-methylpyridazin-3-amine
CID 62203035
6-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine
CID 6412777
N'-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine
CID 116970458
3-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propan-1-ol
CID 116965577
4-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962099
N'-[6-(4-bromophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 82191433
N-ethyl-6-(6-methoxynaphthalen-2-yl)pyridazin-3-amine
CID 62785536
[6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]methanol
CID 116854462
[6-(3-ethyl-4-methoxyphenyl)pyridazin-3-yl]cyanamide
CID 116971727
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]amino]ethanol?
The IUPAC name of 2-[[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]amino]ethanol (CID 116971250) is 2-[[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]amino]ethanol?
The canonical SMILES for 2-[[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]amino]ethanol is COc1ccc(-c2ccc(NCCO)nn2)cc1Br.
What is the InChIKey of 2-[[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]amino]ethanol?
The InChIKey is APMJRYXWRNSNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-19-12-4-2-9(8-10(12)14)11-3-5-13(17-16-11)15-6-7-18/h2-5,8,18H,6-7H2,1H3,(H,15,17).
What are the key properties of 2-[[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]amino]ethanol?
2-[[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]amino]ethanol has a molecular weight of 324.18 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]amino]ethanol is sourced from PubChem (CID 116971250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).