2-(5-bromopentyl)-5-methylpyridazin-3-one

C10H15BrN2O — CID 106548469

IUPAC2-(5-bromopentyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CCCCCBr)c(=O)c1
InChIInChI=1S/C10H15BrN2O/c1-9-7-10(14)13(12-8-9)6-4-2-3-5-11/h7-8H,2-6H2,1H3
InChIKeyPMKUQNVZMLGZMS-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.12
Rot. Bonds5

About 2-(5-bromopentyl)-5-methylpyridazin-3-one

2-(5-bromopentyl)-5-methylpyridazin-3-one (PubChem CID 106548469) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 2-(5-bromopentyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(5-bromopentyl)-5-methylpyridazin-3-one
PubChem CID106548469
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name2-(5-bromopentyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CCCCCBr)c(=O)c1
InChIInChI=1S/C10H15BrN2O/c1-9-7-10(14)13(12-8-9)6-4-2-3-5-11/h7-8H,2-6H2,1H3
InChIKeyPMKUQNVZMLGZMS-UHFFFAOYSA-N
XLogP2.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.12
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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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopentyl)-5-methylpyridazin-3-one?
The IUPAC name of 2-(5-bromopentyl)-5-methylpyridazin-3-one (CID 106548469) is 2-(5-bromopentyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 2-(5-bromopentyl)-5-methylpyridazin-3-one?
The canonical SMILES for 2-(5-bromopentyl)-5-methylpyridazin-3-one is Cc1cnn(CCCCCBr)c(=O)c1.
What is the InChIKey of 2-(5-bromopentyl)-5-methylpyridazin-3-one?
The InChIKey is PMKUQNVZMLGZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-9-7-10(14)13(12-8-9)6-4-2-3-5-11/h7-8H,2-6H2,1H3.
What are the key properties of 2-(5-bromopentyl)-5-methylpyridazin-3-one?
2-(5-bromopentyl)-5-methylpyridazin-3-one has a molecular weight of 259.15 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopentyl)-5-methylpyridazin-3-one is sourced from PubChem (CID 106548469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).