[6-(4-bromo-3,5-dimethylphenoxy)pyridazin-3-yl]methanol

C13H13BrN2O2 — CID 107725618

IUPAC[6-(4-bromo-3,5-dimethylphenoxy)pyridazin-3-yl]methanol
SMILESCc1cc(Oc2ccc(CO)nn2)cc(C)c1Br
InChIInChI=1S/C13H13BrN2O2/c1-8-5-11(6-9(2)13(8)14)18-12-4-3-10(7-17)15-16-12/h3-6,17H,7H2,1-2H3
InChIKeyRFPGPDDXXPLXEJ-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.14
Rot. Bonds3

About [6-(4-bromo-3,5-dimethylphenoxy)pyridazin-3-yl]methanol

[6-(4-bromo-3,5-dimethylphenoxy)pyridazin-3-yl]methanol (PubChem CID 107725618) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is [6-(4-bromo-3,5-dimethylphenoxy)pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-(4-bromo-3,5-dimethylphenoxy)pyridazin-3-yl]methanol
PubChem CID107725618
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name[6-(4-bromo-3,5-dimethylphenoxy)pyridazin-3-yl]methanol
SMILESCc1cc(Oc2ccc(CO)nn2)cc(C)c1Br
InChIInChI=1S/C13H13BrN2O2/c1-8-5-11(6-9(2)13(8)14)18-12-4-3-10(7-17)15-16-12/h3-6,17H,7H2,1-2H3
InChIKeyRFPGPDDXXPLXEJ-UHFFFAOYSA-N
XLogP3.14
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(4-bromo-3,5-dimethylphenoxy)pyridazin-3-yl]methanol?
The IUPAC name of [6-(4-bromo-3,5-dimethylphenoxy)pyridazin-3-yl]methanol (CID 107725618) is [6-(4-bromo-3,5-dimethylphenoxy)pyridazin-3-yl]methanol.
What is the SMILES notation for [6-(4-bromo-3,5-dimethylphenoxy)pyridazin-3-yl]methanol?
The canonical SMILES for [6-(4-bromo-3,5-dimethylphenoxy)pyridazin-3-yl]methanol is Cc1cc(Oc2ccc(CO)nn2)cc(C)c1Br.
What is the InChIKey of [6-(4-bromo-3,5-dimethylphenoxy)pyridazin-3-yl]methanol?
The InChIKey is RFPGPDDXXPLXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-8-5-11(6-9(2)13(8)14)18-12-4-3-10(7-17)15-16-12/h3-6,17H,7H2,1-2H3.
What are the key properties of [6-(4-bromo-3,5-dimethylphenoxy)pyridazin-3-yl]methanol?
[6-(4-bromo-3,5-dimethylphenoxy)pyridazin-3-yl]methanol has a molecular weight of 309.16 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromo-3,5-dimethylphenoxy)pyridazin-3-yl]methanol is sourced from PubChem (CID 107725618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).