1-(2,6-dibromo-4-pyridinyl)-2,2-dimethylpropan-1-one

C10H11Br2NO — CID 140918467

IUPAC1-(2,6-dibromo-4-pyridinyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cc(Br)nc(Br)c1
InChIInChI=1S/C10H11Br2NO/c1-10(2,3)9(14)6-4-7(11)13-8(12)5-6/h4-5H,1-3H3
InChIKeyIFEBDKXUROXVNU-UHFFFAOYSA-N
MW321.01 g/mol
LogP3.84
Rot. Bonds1

About 1-(2,6-dibromo-4-pyridinyl)-2,2-dimethylpropan-1-one

1-(2,6-dibromo-4-pyridinyl)-2,2-dimethylpropan-1-one (PubChem CID 140918467) has the molecular formula C10H11Br2NO and a molecular weight of 321.01 g/mol. Its IUPAC name is 1-(2,6-dibromo-4-pyridinyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2,6-dibromo-4-pyridinyl)-2,2-dimethylpropan-1-one
PubChem CID140918467
Molecular FormulaC10H11Br2NO
Molecular Weight321.01 g/mol
Exact Mass318.92
IUPAC Name1-(2,6-dibromo-4-pyridinyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cc(Br)nc(Br)c1
InChIInChI=1S/C10H11Br2NO/c1-10(2,3)9(14)6-4-7(11)13-8(12)5-6/h4-5H,1-3H3
InChIKeyIFEBDKXUROXVNU-UHFFFAOYSA-N
XLogP3.84
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.01
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-dibromo-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
CID 140870096
2,2-dimethyl-1-(3,4,5-trihydroxyphenyl)propan-1-one
CID 59932058
2-bromo-6-methylpyridine-4-carboxamide
CID 87482032
2,6-dibromo-N-ethyl-N-methylpyridine-4-carboxamide
CID 126830037
1-(4-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-one
CID 24724073
2-bromo-6-chloropyridine-4-carboxamide
CID 119013202
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345
1-[2-tert-butyl-6-(2,2-dimethylpropanoyl)pyrimidin-4-yl]-2,2-dimethylpropan-1-one
CID 171748809
1-[4-[(E)-4-[4-(2,2-dimethylpropanoyl)phenyl]-2,2,5,5-tetramethylhex-3-en-3-yl]phenyl]-2,2-dimethylpropan-1-one
CID 15372819
1-(2-chloro-4-pyridinyl)-2,2-dimethylpropan-1-one
CID 24723731
CID 145132515
CID 145132515
2-bromo-6-methylpyridine-4-carbohydrazide
CID 45117000

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dibromo-4-pyridinyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2,6-dibromo-4-pyridinyl)-2,2-dimethylpropan-1-one (CID 140918467) is 1-(2,6-dibromo-4-pyridinyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2,6-dibromo-4-pyridinyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2,6-dibromo-4-pyridinyl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1cc(Br)nc(Br)c1.
What is the InChIKey of 1-(2,6-dibromo-4-pyridinyl)-2,2-dimethylpropan-1-one?
The InChIKey is IFEBDKXUROXVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO/c1-10(2,3)9(14)6-4-7(11)13-8(12)5-6/h4-5H,1-3H3.
What are the key properties of 1-(2,6-dibromo-4-pyridinyl)-2,2-dimethylpropan-1-one?
1-(2,6-dibromo-4-pyridinyl)-2,2-dimethylpropan-1-one has a molecular weight of 321.01 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dibromo-4-pyridinyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 140918467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).