1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-one

C11H14BrNO2 — CID 116707295

IUPAC1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-one
SMILESCCC(OC)C(=O)Cc1cncc(Br)c1
InChIInChI=1S/C11H14BrNO2/c1-3-11(15-2)10(14)5-8-4-9(12)7-13-6-8/h4,6-7,11H,3,5H2,1-2H3
InChIKeyAJCMTGYXTRKSDZ-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.38
Rot. Bonds5

About 1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-one

1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-one (PubChem CID 116707295) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-one.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-one
PubChem CID116707295
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-one
SMILESCCC(OC)C(=O)Cc1cncc(Br)c1
InChIInChI=1S/C11H14BrNO2/c1-3-11(15-2)10(14)5-8-4-9(12)7-13-6-8/h4,6-7,11H,3,5H2,1-2H3
InChIKeyAJCMTGYXTRKSDZ-UHFFFAOYSA-N
XLogP2.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-3-pyridinyl)-3-hydroxy-4-methylpentan-2-one
CID 103455295
3-amino-1-(5-bromo-3-pyridinyl)heptan-2-one
CID 116556893
1-(5-bromo-3-pyridinyl)-5-methoxypentan-2-one
CID 104798951
4-amino-1-(5-bromo-3-pyridinyl)-5-methylhexan-2-one
CID 116606465
methyl 2-[(5-bromo-3-pyridinyl)methylamino]-3-methylpentanoate
CID 104578656
2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone
CID 112693818
3-amino-1-(5-bromo-3-pyridinyl)hex-5-en-2-one
CID 116607112
3-(5-bromo-3-pyridinyl)-1,1-dimethoxypropan-2-ol
CID 104800369
2-(5-bromo-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)ethanone
CID 103373346
1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-amine
CID 116715292
1-(5-bromo-3-pyridinyl)-3-propan-2-ylsulfanylpropan-2-one
CID 104798958
1-(5-bromo-3-pyridinyl)-3-tert-butylsulfanylpropan-2-one
CID 104798962

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-one?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-one (CID 116707295) is 1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-one.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-one?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-one is CCC(OC)C(=O)Cc1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-one?
The InChIKey is AJCMTGYXTRKSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-3-11(15-2)10(14)5-8-4-9(12)7-13-6-8/h4,6-7,11H,3,5H2,1-2H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-one?
1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-one has a molecular weight of 272.14 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-one is sourced from PubChem (CID 116707295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).