2-(5-bromopentyl)-6-methoxypyridazin-3-one

C10H15BrN2O2 — CID 105061590

IUPAC2-(5-bromopentyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCCCCBr)n1
InChIInChI=1S/C10H15BrN2O2/c1-15-9-5-6-10(14)13(12-9)8-4-2-3-7-11/h5-6H,2-4,7-8H2,1H3
InChIKeyNFWMLKNPPQZCHD-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.82
Rot. Bonds6

About 2-(5-bromopentyl)-6-methoxypyridazin-3-one

2-(5-bromopentyl)-6-methoxypyridazin-3-one (PubChem CID 105061590) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 2-(5-bromopentyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(5-bromopentyl)-6-methoxypyridazin-3-one
PubChem CID105061590
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name2-(5-bromopentyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCCCCBr)n1
InChIInChI=1S/C10H15BrN2O2/c1-15-9-5-6-10(14)13(12-9)8-4-2-3-7-11/h5-6H,2-4,7-8H2,1H3
InChIKeyNFWMLKNPPQZCHD-UHFFFAOYSA-N
XLogP1.82
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(5-bromopentyl)-6-methoxypyridazin-3-one (CID 105061590) is 2-(5-bromopentyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(5-bromopentyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(5-bromopentyl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(CCCCCBr)n1.
What is the InChIKey of 2-(5-bromopentyl)-6-methoxypyridazin-3-one?
The InChIKey is NFWMLKNPPQZCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-15-9-5-6-10(14)13(12-9)8-4-2-3-7-11/h5-6H,2-4,7-8H2,1H3.
What are the key properties of 2-(5-bromopentyl)-6-methoxypyridazin-3-one?
2-(5-bromopentyl)-6-methoxypyridazin-3-one has a molecular weight of 275.15 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopentyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).