6-bromo-1-(5-bromo-2-pyridinyl)hexan-3-one

C11H13Br2NO — CID 106798829

IUPAC6-bromo-1-(5-bromo-2-pyridinyl)hexan-3-one
SMILESO=C(CCCBr)CCc1ccc(Br)cn1
InChIInChI=1S/C11H13Br2NO/c12-7-1-2-11(15)6-5-10-4-3-9(13)8-14-10/h3-4,8H,1-2,5-7H2
InChIKeyPICSWYIMTBNOLF-UHFFFAOYSA-N
MW335.04 g/mol
LogP3.52
Rot. Bonds6

About 6-bromo-1-(5-bromo-2-pyridinyl)hexan-3-one

6-bromo-1-(5-bromo-2-pyridinyl)hexan-3-one (PubChem CID 106798829) has the molecular formula C11H13Br2NO and a molecular weight of 335.04 g/mol. Its IUPAC name is 6-bromo-1-(5-bromo-2-pyridinyl)hexan-3-one.

Molecular Properties

Compound Name6-bromo-1-(5-bromo-2-pyridinyl)hexan-3-one
PubChem CID106798829
Molecular FormulaC11H13Br2NO
Molecular Weight335.04 g/mol
Exact Mass332.94
IUPAC Name6-bromo-1-(5-bromo-2-pyridinyl)hexan-3-one
SMILESO=C(CCCBr)CCc1ccc(Br)cn1
InChIInChI=1S/C11H13Br2NO/c12-7-1-2-11(15)6-5-10-4-3-9(13)8-14-10/h3-4,8H,1-2,5-7H2
InChIKeyPICSWYIMTBNOLF-UHFFFAOYSA-N
XLogP3.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.04
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(5-bromo-2-pyridinyl)butan-2-one
CID 104799733
5-(5-bromo-2-pyridinyl)pent-1-en-3-one
CID 161265970
ethyl 5-(5-bromo-2-pyridinyl)pentanoate
CID 23581271
tert-butyl 3-(5-bromo-2-pyridinyl)propanoate
CID 134284473
1-(5-bromo-2-pyridinyl)decan-2-one
CID 115800946
1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-one
CID 104798952
1-(5-bromo-2-pyridinyl)-3-methylsulfonylpropan-2-one
CID 115800953
5-bromo-N-[(5-bromo-2-pyridinyl)methyl]-N-methylpentan-1-amine
CID 107204834
5-bromo-2-[2-(fluoromethylsulfonyl)ethyl]pyridine
CID 161296269
5-bromo-2-(4-cyclopropylbutyl)pyridine
CID 71137385
5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine
CID 58234518
1-(5-bromo-2-pyridinyl)pent-4-en-2-one
CID 116659555

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(5-bromo-2-pyridinyl)hexan-3-one?
The IUPAC name of 6-bromo-1-(5-bromo-2-pyridinyl)hexan-3-one (CID 106798829) is 6-bromo-1-(5-bromo-2-pyridinyl)hexan-3-one.
What is the SMILES notation for 6-bromo-1-(5-bromo-2-pyridinyl)hexan-3-one?
The canonical SMILES for 6-bromo-1-(5-bromo-2-pyridinyl)hexan-3-one is O=C(CCCBr)CCc1ccc(Br)cn1.
What is the InChIKey of 6-bromo-1-(5-bromo-2-pyridinyl)hexan-3-one?
The InChIKey is PICSWYIMTBNOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO/c12-7-1-2-11(15)6-5-10-4-3-9(13)8-14-10/h3-4,8H,1-2,5-7H2.
What are the key properties of 6-bromo-1-(5-bromo-2-pyridinyl)hexan-3-one?
6-bromo-1-(5-bromo-2-pyridinyl)hexan-3-one has a molecular weight of 335.04 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(5-bromo-2-pyridinyl)hexan-3-one is sourced from PubChem (CID 106798829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).