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

C9H9Br2NO — CID 164562677

IUPAC2-bromo-1-(5-bromo-2-pyridinyl)-2-methylpropan-1-one
SMILESCC(C)(Br)C(=O)c1ccc(Br)cn1
InChIInChI=1S/C9H9Br2NO/c1-9(2,11)8(13)7-4-3-6(10)5-12-7/h3-5H,1-2H3
InChIKeyWLYKXSYDDKBNHH-UHFFFAOYSA-N
MW306.99 g/mol
LogP3.20
Rot. Bonds2

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

2-bromo-1-(5-bromo-2-pyridinyl)-2-methylpropan-1-one (PubChem CID 164562677) has the molecular formula C9H9Br2NO and a molecular weight of 306.99 g/mol. Its IUPAC name is 2-bromo-1-(5-bromo-2-pyridinyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-bromo-1-(5-bromo-2-pyridinyl)-2-methylpropan-1-one
PubChem CID164562677
Molecular FormulaC9H9Br2NO
Molecular Weight306.99 g/mol
Exact Mass304.91
IUPAC Name2-bromo-1-(5-bromo-2-pyridinyl)-2-methylpropan-1-one
SMILESCC(C)(Br)C(=O)c1ccc(Br)cn1
InChIInChI=1S/C9H9Br2NO/c1-9(2,11)8(13)7-4-3-6(10)5-12-7/h3-5H,1-2H3
InChIKeyWLYKXSYDDKBNHH-UHFFFAOYSA-N
XLogP3.20
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.99
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-1-(5-bromo-2-pyridinyl)-2-methylpropan-1-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

methyl 5-bromopyridine-2-carboxylate
CID 7016458
5-bromopyridine-2-carboxylic acid;hydrazine
CID 161359916
ethane;methyl 5-bromopyridine-2-carboxylate
CID 143416930
tert-butyl 3-(5-bromo-2-pyridinyl)-3-oxopropanoate
CID 71580223
1-(5-amino-2-pyridinyl)-2-(4-bromophenyl)-2-methylpropan-1-one
CID 164562679
3-[(5-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427045
(5-bromo-2-pyridinyl)-(2-methyltriazol-4-yl)methanone
CID 130602508
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-2-carboxamide
CID 64555627
2-[(5-bromopyridine-2-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79793016
2-[4-(5-bromopyridine-2-carbonyl)piperazin-1-yl]-2-methylpropanenitrile
CID 63337357
1-(5-bromo-2-pyridinyl)-2-(methylamino)propan-1-one
CID 155973765

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(5-bromo-2-pyridinyl)-2-methylpropan-1-one?
The IUPAC name of 2-bromo-1-(5-bromo-2-pyridinyl)-2-methylpropan-1-one (CID 164562677) is 2-bromo-1-(5-bromo-2-pyridinyl)-2-methylpropan-1-one.
What is the SMILES notation for 2-bromo-1-(5-bromo-2-pyridinyl)-2-methylpropan-1-one?
The canonical SMILES for 2-bromo-1-(5-bromo-2-pyridinyl)-2-methylpropan-1-one is CC(C)(Br)C(=O)c1ccc(Br)cn1.
What is the InChIKey of 2-bromo-1-(5-bromo-2-pyridinyl)-2-methylpropan-1-one?
The InChIKey is WLYKXSYDDKBNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2NO/c1-9(2,11)8(13)7-4-3-6(10)5-12-7/h3-5H,1-2H3.
What are the key properties of 2-bromo-1-(5-bromo-2-pyridinyl)-2-methylpropan-1-one?
2-bromo-1-(5-bromo-2-pyridinyl)-2-methylpropan-1-one has a molecular weight of 306.99 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(5-bromo-2-pyridinyl)-2-methylpropan-1-one is sourced from PubChem (CID 164562677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).