3-(bromomethyl)-6-methyl-1-propan-2-ylpyridin-2-one

C10H14BrNO — CID 82525286

IUPAC3-(bromomethyl)-6-methyl-1-propan-2-ylpyridin-2-one
SMILESCc1ccc(CBr)c(=O)n1C(C)C
InChIInChI=1S/C10H14BrNO/c1-7(2)12-8(3)4-5-9(6-11)10(12)13/h4-5,7H,6H2,1-3H3
InChIKeySOTYWCYSIJDRRC-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.63
Rot. Bonds2

About 3-(bromomethyl)-6-methyl-1-propan-2-ylpyridin-2-one

3-(bromomethyl)-6-methyl-1-propan-2-ylpyridin-2-one (PubChem CID 82525286) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 3-(bromomethyl)-6-methyl-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-(bromomethyl)-6-methyl-1-propan-2-ylpyridin-2-one
PubChem CID82525286
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name3-(bromomethyl)-6-methyl-1-propan-2-ylpyridin-2-one
SMILESCc1ccc(CBr)c(=O)n1C(C)C
InChIInChI=1S/C10H14BrNO/c1-7(2)12-8(3)4-5-9(6-11)10(12)13/h4-5,7H,6H2,1-3H3
InChIKeySOTYWCYSIJDRRC-UHFFFAOYSA-N
XLogP2.63
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.63
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

3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid
CID 82525236
3-(bromomethyl)-6-phenyl-1-propan-2-ylpyridin-2-one
CID 82521214
2-(1-butan-2-yl-6-methyl-2-oxo-3-pyridinyl)acetonitrile
CID 82525085
3-(bromomethyl)-1-butyl-6-methylpyridin-2-one
CID 82525141
3-(bromomethyl)-1-butan-2-yl-6-propan-2-ylpyridin-2-one
CID 82524259
1-butan-2-yl-6-methyl-3-(methylaminomethyl)pyridin-2-one
CID 82525099
ethyl 5-bromo-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylate;ethyl 6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylate
CID 162207735
3-(aminomethyl)-6-(4-methylphenyl)-1-propan-2-ylpyridin-2-one
CID 82189293
2-methyl-1,5-di(propan-2-yl)pyrrole
CID 91672099
2-butan-2-yl-5-methyl-1-propan-2-ylpyrrole
CID 91672106
3-[amino-(4-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one
CID 82525271
3-bromo-6-methyl-1,4-di(propan-2-yl)pyridin-2-one
CID 165398487

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-6-methyl-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-(bromomethyl)-6-methyl-1-propan-2-ylpyridin-2-one (CID 82525286) is 3-(bromomethyl)-6-methyl-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-(bromomethyl)-6-methyl-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-(bromomethyl)-6-methyl-1-propan-2-ylpyridin-2-one is Cc1ccc(CBr)c(=O)n1C(C)C.
What is the InChIKey of 3-(bromomethyl)-6-methyl-1-propan-2-ylpyridin-2-one?
The InChIKey is SOTYWCYSIJDRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-7(2)12-8(3)4-5-9(6-11)10(12)13/h4-5,7H,6H2,1-3H3.
What are the key properties of 3-(bromomethyl)-6-methyl-1-propan-2-ylpyridin-2-one?
3-(bromomethyl)-6-methyl-1-propan-2-ylpyridin-2-one has a molecular weight of 244.13 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-6-methyl-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82525286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).