1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-one

C12H16BrNO2 — CID 105128793

IUPAC1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-one
SMILESCOCC(C)CC(=O)Cc1ccc(Br)cn1
InChIInChI=1S/C12H16BrNO2/c1-9(8-16-2)5-12(15)6-11-4-3-10(13)7-14-11/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyHZKYLCVNVHURHM-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.63
Rot. Bonds6

About 1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-one

1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-one (PubChem CID 105128793) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-one.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-one
PubChem CID105128793
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-one
SMILESCOCC(C)CC(=O)Cc1ccc(Br)cn1
InChIInChI=1S/C12H16BrNO2/c1-9(8-16-2)5-12(15)6-11-4-3-10(13)7-14-11/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyHZKYLCVNVHURHM-UHFFFAOYSA-N
XLogP2.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-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-2-pyridinyl)-4-methylhexan-2-one
CID 115801004
1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-one
CID 104798952
1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-ol
CID 105126245
1-(5-bromo-2-pyridinyl)-3-methylsulfonylpropan-2-one
CID 115800953
1-(5-bromo-2-pyridinyl)-3-methoxy-3-methylbutan-2-one
CID 104799191
1-(5-bromo-2-pyridinyl)-4,4,4-trifluorobutan-2-one
CID 104798738
1-(5-bromo-2-pyridinyl)pent-4-en-2-one
CID 116659555
5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-one
CID 105088730
1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-one
CID 104798819
1-(5-bromo-2-pyridinyl)decan-2-one
CID 115800946
1-(2-bromo-3-fluorophenyl)-5-methoxy-4-methylpentan-2-one
CID 105121364
1-(5-bromo-2-pyridinyl)-4-(3-methylphenoxy)butan-2-one
CID 105128757

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-one?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-one (CID 105128793) is 1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-one.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-one?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-one is COCC(C)CC(=O)Cc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-one?
The InChIKey is HZKYLCVNVHURHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-9(8-16-2)5-12(15)6-11-4-3-10(13)7-14-11/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-one?
1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-one has a molecular weight of 286.17 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-one is sourced from PubChem (CID 105128793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).