1-(5-bromo-2-pyridinyl)decan-2-one

C15H22BrNO — CID 115800946

IUPAC1-(5-bromo-2-pyridinyl)decan-2-one
SMILESCCCCCCCCC(=O)Cc1ccc(Br)cn1
InChIInChI=1S/C15H22BrNO/c1-2-3-4-5-6-7-8-15(18)11-14-10-9-13(16)12-17-14/h9-10,12H,2-8,11H2,1H3
InChIKeyIIKPVARSPFLTIY-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.71
Rot. Bonds9

About 1-(5-bromo-2-pyridinyl)decan-2-one

1-(5-bromo-2-pyridinyl)decan-2-one (PubChem CID 115800946) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)decan-2-one.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)decan-2-one
PubChem CID115800946
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-(5-bromo-2-pyridinyl)decan-2-one
SMILESCCCCCCCCC(=O)Cc1ccc(Br)cn1
InChIInChI=1S/C15H22BrNO/c1-2-3-4-5-6-7-8-15(18)11-14-10-9-13(16)12-17-14/h9-10,12H,2-8,11H2,1H3
InChIKeyIIKPVARSPFLTIY-UHFFFAOYSA-N
XLogP4.71
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-methyl-2-pyridinyl)nonan-2-one
CID 66447727
1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-one
CID 104798952
1-(5-bromo-2-pyridinyl)-3-ethylheptan-2-one
CID 115800900
1-pyridin-2-yldecan-2-one
CID 62622628
1-(5-bromo-2-pyridinyl)-4-methylhexan-2-one
CID 115801004
3-amino-1-(5-bromo-2-pyridinyl)heptan-2-one
CID 116556867
1-(5-bromo-2-pyridinyl)-3-methylsulfonylpropan-2-one
CID 115800953
7-amino-1-(5-ethyl-2-pyridinyl)heptan-2-one
CID 116549923
6-bromo-1-(5-bromo-2-pyridinyl)hexan-3-one
CID 106798829
1-(5-bromo-2-pyridinyl)pent-4-en-2-one
CID 116659555
1-(5-bromo-2-pyridinyl)-4,4,4-trifluorobutan-2-one
CID 104798738
1-(5-bromo-2-pyridinyl)-3,3-dimethylpentan-2-one
CID 115801075

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)decan-2-one?
The IUPAC name of 1-(5-bromo-2-pyridinyl)decan-2-one (CID 115800946) is 1-(5-bromo-2-pyridinyl)decan-2-one.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)decan-2-one?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)decan-2-one is CCCCCCCCC(=O)Cc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)decan-2-one?
The InChIKey is IIKPVARSPFLTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-2-3-4-5-6-7-8-15(18)11-14-10-9-13(16)12-17-14/h9-10,12H,2-8,11H2,1H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)decan-2-one?
1-(5-bromo-2-pyridinyl)decan-2-one has a molecular weight of 312.25 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)decan-2-one is sourced from PubChem (CID 115800946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).