2-[2-(bromomethyl)pentyl]-5-methylpyridazin-3-one

C11H17BrN2O — CID 106548474

IUPAC2-[2-(bromomethyl)pentyl]-5-methylpyridazin-3-one
SMILESCCCC(CBr)Cn1ncc(C)cc1=O
InChIInChI=1S/C11H17BrN2O/c1-3-4-10(6-12)8-14-11(15)5-9(2)7-13-14/h5,7,10H,3-4,6,8H2,1-2H3
InChIKeySQSVLCCCTPIHRZ-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.36
Rot. Bonds5

About 2-[2-(bromomethyl)pentyl]-5-methylpyridazin-3-one

2-[2-(bromomethyl)pentyl]-5-methylpyridazin-3-one (PubChem CID 106548474) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 2-[2-(bromomethyl)pentyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(bromomethyl)pentyl]-5-methylpyridazin-3-one
PubChem CID106548474
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name2-[2-(bromomethyl)pentyl]-5-methylpyridazin-3-one
SMILESCCCC(CBr)Cn1ncc(C)cc1=O
InChIInChI=1S/C11H17BrN2O/c1-3-4-10(6-12)8-14-11(15)5-9(2)7-13-14/h5,7,10H,3-4,6,8H2,1-2H3
InChIKeySQSVLCCCTPIHRZ-UHFFFAOYSA-N
XLogP2.36
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(Bromomethyl)butyl]pyridazin-3-one
CID 64994897
2-[2-(Bromomethyl)pentyl]pyridazin-3-one
CID 65010693
2-[2-(Bromomethyl)-3-methylbutyl]pyridazin-3-one
CID 65011699
2-(5-Bromo-3-methylpentyl)pyridazin-3-one
CID 65651974
2-(5-Bromopentyl)-5-methylpyridazin-3-one
CID 106548469
2-[[1-(Bromomethyl)cyclopropyl]methyl]-5-methylpyridazin-3-one
CID 106548471
2-[2-(Bromomethyl)-3-methylbutyl]-5-methylpyridazin-3-one
CID 106548472
2-[2-(Bromomethyl)butyl]-5-methylpyridazin-3-one
CID 106548473
2-(9-Bromononyl)-5-methylpyridazin-3-one
CID 106548476
2-(3-Bromopropyl)-5-methylpyridazin-3-one
CID 106548478
2-[[1-(Bromomethyl)cyclopentyl]methyl]-5-methylpyridazin-3-one
CID 106548481
2-[2-(Bromomethyl)-2-ethylbutyl]-5-methylpyridazin-3-one
CID 106548482

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)pentyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[2-(bromomethyl)pentyl]-5-methylpyridazin-3-one (CID 106548474) is 2-[2-(bromomethyl)pentyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(bromomethyl)pentyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(bromomethyl)pentyl]-5-methylpyridazin-3-one is CCCC(CBr)Cn1ncc(C)cc1=O.
What is the InChIKey of 2-[2-(bromomethyl)pentyl]-5-methylpyridazin-3-one?
The InChIKey is SQSVLCCCTPIHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-3-4-10(6-12)8-14-11(15)5-9(2)7-13-14/h5,7,10H,3-4,6,8H2,1-2H3.
What are the key properties of 2-[2-(bromomethyl)pentyl]-5-methylpyridazin-3-one?
2-[2-(bromomethyl)pentyl]-5-methylpyridazin-3-one has a molecular weight of 273.17 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)pentyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).