2-(9-bromononyl)-5-methylpyridazin-3-one

C14H23BrN2O — CID 106548476

IUPAC2-(9-bromononyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CCCCCCCCCBr)c(=O)c1
InChIInChI=1S/C14H23BrN2O/c1-13-11-14(18)17(16-12-13)10-8-6-4-2-3-5-7-9-15/h11-12H,2-10H2,1H3
InChIKeyUINSUSBEGNOPSP-UHFFFAOYSA-N
MW315.25 g/mol
LogP3.68
Rot. Bonds9

About 2-(9-bromononyl)-5-methylpyridazin-3-one

2-(9-bromononyl)-5-methylpyridazin-3-one (PubChem CID 106548476) has the molecular formula C14H23BrN2O and a molecular weight of 315.25 g/mol. Its IUPAC name is 2-(9-bromononyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(9-bromononyl)-5-methylpyridazin-3-one
PubChem CID106548476
Molecular FormulaC14H23BrN2O
Molecular Weight315.25 g/mol
Exact Mass314.10
IUPAC Name2-(9-bromononyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CCCCCCCCCBr)c(=O)c1
InChIInChI=1S/C14H23BrN2O/c1-13-11-14(18)17(16-12-13)10-8-6-4-2-3-5-7-9-15/h11-12H,2-10H2,1H3
InChIKeyUINSUSBEGNOPSP-UHFFFAOYSA-N
XLogP3.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 53.68
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-(9-Bromononyl)pyridazin-3-one
CID 105343119
2-(9-Bromononyl)-5-(dimethylamino)pyridazin-3-one
CID 105343197
2-(9-Bromononyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 105343198
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-[2-(Bromomethyl)pentyl]-5-methylpyridazin-3-one
CID 106548474
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
2-[2-(Bromomethyl)-3,3-dimethylbutyl]-5-methylpyridazin-3-one
CID 106548487

Frequently Asked Questions

What is the IUPAC name of 2-(9-bromononyl)-5-methylpyridazin-3-one?
The IUPAC name of 2-(9-bromononyl)-5-methylpyridazin-3-one (CID 106548476) is 2-(9-bromononyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 2-(9-bromononyl)-5-methylpyridazin-3-one?
The canonical SMILES for 2-(9-bromononyl)-5-methylpyridazin-3-one is Cc1cnn(CCCCCCCCCBr)c(=O)c1.
What is the InChIKey of 2-(9-bromononyl)-5-methylpyridazin-3-one?
The InChIKey is UINSUSBEGNOPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-13-11-14(18)17(16-12-13)10-8-6-4-2-3-5-7-9-15/h11-12H,2-10H2,1H3.
What are the key properties of 2-(9-bromononyl)-5-methylpyridazin-3-one?
2-(9-bromononyl)-5-methylpyridazin-3-one has a molecular weight of 315.25 g/mol, XLogP of 3.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-bromononyl)-5-methylpyridazin-3-one is sourced from PubChem (CID 106548476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).