4,5-dibromo-2-(2-hydroxycyclopentyl)pyridazin-3-one

C9H10Br2N2O2 — CID 62713025

IUPAC4,5-dibromo-2-(2-hydroxycyclopentyl)pyridazin-3-one
SMILESO=c1c(Br)c(Br)cnn1C1CCCC1O
InChIInChI=1S/C9H10Br2N2O2/c10-5-4-12-13(9(15)8(5)11)6-2-1-3-7(6)14/h4,6-7,14H,1-3H2
InChIKeyVTSAVFLMQWMGKD-UHFFFAOYSA-N
MW338.00 g/mol
LogP1.85
Rot. Bonds1

About 4,5-dibromo-2-(2-hydroxycyclopentyl)pyridazin-3-one

4,5-dibromo-2-(2-hydroxycyclopentyl)pyridazin-3-one (PubChem CID 62713025) has the molecular formula C9H10Br2N2O2 and a molecular weight of 338.00 g/mol. Its IUPAC name is 4,5-dibromo-2-(2-hydroxycyclopentyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dibromo-2-(2-hydroxycyclopentyl)pyridazin-3-one
PubChem CID62713025
Molecular FormulaC9H10Br2N2O2
Molecular Weight338.00 g/mol
Exact Mass335.91
IUPAC Name4,5-dibromo-2-(2-hydroxycyclopentyl)pyridazin-3-one
SMILESO=c1c(Br)c(Br)cnn1C1CCCC1O
InChIInChI=1S/C9H10Br2N2O2/c10-5-4-12-13(9(15)8(5)11)6-2-1-3-7(6)14/h4,6-7,14H,1-3H2
InChIKeyVTSAVFLMQWMGKD-UHFFFAOYSA-N
XLogP1.85
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.00
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-(2-hydroxycyclopentyl)pyridazin-3-one?
The IUPAC name of 4,5-dibromo-2-(2-hydroxycyclopentyl)pyridazin-3-one (CID 62713025) is 4,5-dibromo-2-(2-hydroxycyclopentyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dibromo-2-(2-hydroxycyclopentyl)pyridazin-3-one?
The canonical SMILES for 4,5-dibromo-2-(2-hydroxycyclopentyl)pyridazin-3-one is O=c1c(Br)c(Br)cnn1C1CCCC1O.
What is the InChIKey of 4,5-dibromo-2-(2-hydroxycyclopentyl)pyridazin-3-one?
The InChIKey is VTSAVFLMQWMGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2N2O2/c10-5-4-12-13(9(15)8(5)11)6-2-1-3-7(6)14/h4,6-7,14H,1-3H2.
What are the key properties of 4,5-dibromo-2-(2-hydroxycyclopentyl)pyridazin-3-one?
4,5-dibromo-2-(2-hydroxycyclopentyl)pyridazin-3-one has a molecular weight of 338.00 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-(2-hydroxycyclopentyl)pyridazin-3-one is sourced from PubChem (CID 62713025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).