2-(5-bromopentyl)-4,5-dichloropyridazin-3-one

C9H11BrCl2N2O — CID 102063967

IUPAC2-(5-bromopentyl)-4,5-dichloropyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCCCCBr
InChIInChI=1S/C9H11BrCl2N2O/c10-4-2-1-3-5-14-9(15)8(12)7(11)6-13-14/h6H,1-5H2
InChIKeyOWDOFWMJPBOJFZ-UHFFFAOYSA-N
MW314.01 g/mol
LogP3.12
Rot. Bonds5

About 2-(5-bromopentyl)-4,5-dichloropyridazin-3-one

2-(5-bromopentyl)-4,5-dichloropyridazin-3-one (PubChem CID 102063967) has the molecular formula C9H11BrCl2N2O and a molecular weight of 314.01 g/mol. Its IUPAC name is 2-(5-bromopentyl)-4,5-dichloropyridazin-3-one.

Molecular Properties

Compound Name2-(5-bromopentyl)-4,5-dichloropyridazin-3-one
PubChem CID102063967
Molecular FormulaC9H11BrCl2N2O
Molecular Weight314.01 g/mol
Exact Mass311.94
IUPAC Name2-(5-bromopentyl)-4,5-dichloropyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCCCCBr
InChIInChI=1S/C9H11BrCl2N2O/c10-4-2-1-3-5-14-9(15)8(12)7(11)6-13-14/h6H,1-5H2
InChIKeyOWDOFWMJPBOJFZ-UHFFFAOYSA-N
XLogP3.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.01
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-Bromoethyl)-4,5-dichloropyridazin-3-one
CID 10659749
2-Butyl-4,5-dichloropyridazin-3(2H)-one
CID 12351831
4,5-Dichloro-2-cyclopentylpyridazin-3-one
CID 13881555
2-(6-Bromohexyl)-4,5-dichloropyridazin-3-one
CID 10496485
2-(4-Bromobutyl)-4,5-dichloropyridazin-3-one
CID 10614134
3(2H)-Pyridazinone, 2-(3-bromopropyl)-4,5-dichloro-
CID 10803086
4,5-dichloro-2-pentyl-3(2H)-pyridazinone
CID 13270697
4,5-Dichloro-2-hexylpyridazin-3-one
CID 13270698
4,5-Dichloro-2-[5-(4,5-dichloro-6-oxopyridazin-1-yl)pentyl]pyridazin-3-one
CID 102063968
5-(4,5-Dichloro-6-oxopyridazin-1-yl)pentanenitrile
CID 115571984
4,5-Dichloro-2-heptylpyridazin-3-one
CID 115582849

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopentyl)-4,5-dichloropyridazin-3-one?
The IUPAC name of 2-(5-bromopentyl)-4,5-dichloropyridazin-3-one (CID 102063967) is 2-(5-bromopentyl)-4,5-dichloropyridazin-3-one.
What is the SMILES notation for 2-(5-bromopentyl)-4,5-dichloropyridazin-3-one?
The canonical SMILES for 2-(5-bromopentyl)-4,5-dichloropyridazin-3-one is O=c1c(Cl)c(Cl)cnn1CCCCCBr.
What is the InChIKey of 2-(5-bromopentyl)-4,5-dichloropyridazin-3-one?
The InChIKey is OWDOFWMJPBOJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrCl2N2O/c10-4-2-1-3-5-14-9(15)8(12)7(11)6-13-14/h6H,1-5H2.
What are the key properties of 2-(5-bromopentyl)-4,5-dichloropyridazin-3-one?
2-(5-bromopentyl)-4,5-dichloropyridazin-3-one has a molecular weight of 314.01 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopentyl)-4,5-dichloropyridazin-3-one is sourced from PubChem (CID 102063967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).