6-(bromomethyl)-4-methyl-1H-pyridin-2-one

C7H8BrNO — CID 130951385

IUPAC6-(bromomethyl)-4-methyl-1H-pyridin-2-one
SMILESCc1cc(CBr)[nH]c(=O)c1
InChIInChI=1S/C7H8BrNO/c1-5-2-6(4-8)9-7(10)3-5/h2-3H,4H2,1H3,(H,9,10)
InChIKeyPUOKKRVUSWIGBS-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.58
Rot. Bonds1

About 6-(bromomethyl)-4-methyl-1H-pyridin-2-one

6-(bromomethyl)-4-methyl-1H-pyridin-2-one (PubChem CID 130951385) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 6-(bromomethyl)-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(bromomethyl)-4-methyl-1H-pyridin-2-one
PubChem CID130951385
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name6-(bromomethyl)-4-methyl-1H-pyridin-2-one
SMILESCc1cc(CBr)[nH]c(=O)c1
InChIInChI=1S/C7H8BrNO/c1-5-2-6(4-8)9-7(10)3-5/h2-3H,4H2,1H3,(H,9,10)
InChIKeyPUOKKRVUSWIGBS-UHFFFAOYSA-N
XLogP1.58
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethyl-1H-pyridin-2-one;ethane
CID 91063629
4,6-dimethyl-1H-pyridin-2-one;hydrochloride
CID 142706919
4-methyl-6-(2,4,4-trimethylpentyl)-1H-pyridin-2-one
CID 165082708
ethane;bis(4-methyl-1H-pyridin-2-one)
CID 158231683
4-methyl-6-oxo-1H-pyridine-2-carboxamide
CID 130906074
6-methyl-1H-pyrimidine-2,4-dione
CID 160901514
4-methyl-6-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridin-2-one
CID 157180998
6-ethyl-4-hydroxy-1H-pyridin-2-one
CID 54688856
4-(bromomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111919
2-(bromomethyl)-1,3-diethyl-5-methylbenzene
CID 66954706
ethane;1,3,5-trimethylbenzene
CID 91530079
6-(methylaminomethyl)-1H-pyrimidine-2,4-dione
CID 60641297

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-4-methyl-1H-pyridin-2-one?
The IUPAC name of 6-(bromomethyl)-4-methyl-1H-pyridin-2-one (CID 130951385) is 6-(bromomethyl)-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-(bromomethyl)-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-(bromomethyl)-4-methyl-1H-pyridin-2-one is Cc1cc(CBr)[nH]c(=O)c1.
What is the InChIKey of 6-(bromomethyl)-4-methyl-1H-pyridin-2-one?
The InChIKey is PUOKKRVUSWIGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-5-2-6(4-8)9-7(10)3-5/h2-3H,4H2,1H3,(H,9,10).
What are the key properties of 6-(bromomethyl)-4-methyl-1H-pyridin-2-one?
6-(bromomethyl)-4-methyl-1H-pyridin-2-one has a molecular weight of 202.05 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 130951385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).