2-(6-bromohexyl)-4,5-dichloropyridazin-3-one

C10H13BrCl2N2O — CID 10496485

IUPAC2-(6-bromohexyl)-4,5-dichloropyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCCCCCBr
InChIInChI=1S/C10H13BrCl2N2O/c11-5-3-1-2-4-6-15-10(16)9(13)8(12)7-14-15/h7H,1-6H2
InChIKeyNSSNSVFSTDUIRQ-UHFFFAOYSA-N
MW328.04 g/mol
LogP3.51
Rot. Bonds6

About 2-(6-bromohexyl)-4,5-dichloropyridazin-3-one

2-(6-bromohexyl)-4,5-dichloropyridazin-3-one (PubChem CID 10496485) has the molecular formula C10H13BrCl2N2O and a molecular weight of 328.04 g/mol. Its IUPAC name is 2-(6-bromohexyl)-4,5-dichloropyridazin-3-one.

Molecular Properties

Compound Name2-(6-bromohexyl)-4,5-dichloropyridazin-3-one
PubChem CID10496485
Molecular FormulaC10H13BrCl2N2O
Molecular Weight328.04 g/mol
Exact Mass325.96
IUPAC Name2-(6-bromohexyl)-4,5-dichloropyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCCCCCBr
InChIInChI=1S/C10H13BrCl2N2O/c11-5-3-1-2-4-6-15-10(16)9(13)8(12)7-14-15/h7H,1-6H2
InChIKeyNSSNSVFSTDUIRQ-UHFFFAOYSA-N
XLogP3.51
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.04
LogP ≤ 53.51
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

4,5-dichloro-2-cyclohexylpyridazin-3(2H)-one
CID 12351836
2-(2-Bromoethyl)-4,5-dichloropyridazin-3-one
CID 10659749
2-Butyl-4,5-dichloropyridazin-3(2H)-one
CID 12351831
4,5-Dichloro-2-[6-(4,5-dichloro-6-oxopyridazin-1-yl)hexyl]pyridazin-3-one
CID 10573705
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-octylpyridazin-3-one
CID 12351833
4,5-dichloro-2-pentyl-3(2H)-pyridazinone
CID 13270697
4,5-Dichloro-2-hexylpyridazin-3-one
CID 13270698
2-(5-Bromopentyl)-4,5-dichloropyridazin-3-one
CID 102063967
4,5-Dichloro-2-nonylpyridazin-3-one
CID 113223654
4,5-Dichloro-2-decylpyridazin-3-one
CID 113578095

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromohexyl)-4,5-dichloropyridazin-3-one?
The IUPAC name of 2-(6-bromohexyl)-4,5-dichloropyridazin-3-one (CID 10496485) is 2-(6-bromohexyl)-4,5-dichloropyridazin-3-one.
What is the SMILES notation for 2-(6-bromohexyl)-4,5-dichloropyridazin-3-one?
The canonical SMILES for 2-(6-bromohexyl)-4,5-dichloropyridazin-3-one is O=c1c(Cl)c(Cl)cnn1CCCCCCBr.
What is the InChIKey of 2-(6-bromohexyl)-4,5-dichloropyridazin-3-one?
The InChIKey is NSSNSVFSTDUIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrCl2N2O/c11-5-3-1-2-4-6-15-10(16)9(13)8(12)7-14-15/h7H,1-6H2.
What are the key properties of 2-(6-bromohexyl)-4,5-dichloropyridazin-3-one?
2-(6-bromohexyl)-4,5-dichloropyridazin-3-one has a molecular weight of 328.04 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromohexyl)-4,5-dichloropyridazin-3-one is sourced from PubChem (CID 10496485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).