5-(bromomethyl)-1-methylpyridin-2-one

C7H8BrNO — CID 19781644

IUPAC5-(bromomethyl)-1-methylpyridin-2-one
SMILESCn1cc(CBr)ccc1=O
InChIInChI=1S/C7H8BrNO/c1-9-5-6(4-8)2-3-7(9)10/h2-3,5H,4H2,1H3
InChIKeyOMMQQECWTWLVKJ-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.28
Rot. Bonds1

About 5-(bromomethyl)-1-methylpyridin-2-one

5-(bromomethyl)-1-methylpyridin-2-one (PubChem CID 19781644) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 5-(bromomethyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-(bromomethyl)-1-methylpyridin-2-one
PubChem CID19781644
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name5-(bromomethyl)-1-methylpyridin-2-one
SMILESCn1cc(CBr)ccc1=O
InChIInChI=1S/C7H8BrNO/c1-9-5-6(4-8)2-3-7(9)10/h2-3,5H,4H2,1H3
InChIKeyOMMQQECWTWLVKJ-UHFFFAOYSA-N
XLogP1.28
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 51.28
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

4-(Bromomethyl)-1-methyl-1,2-dihydropyridin-2-one
CID 67145043
5-Bromo-1,4-dimethyl-1,2-dihydropyridin-2-one
CID 67281826
2(1H)-Pyridinone, 3-bromo-1,5-dimethyl-
CID 74890566
1-Vinyl-5-methyl-2-pyridone
CID 14323033
3-Fluoro-1,5-dimethylpyridin-2-one
CID 66924423
1-(Fluoromethyl)-5-methylpyridin-2-one
CID 122579453
2(1H)-Pyridone, 1,5-dimethyl-
CID 565112
1-(3-Bromopropyl)-5-(trifluoromethyl)pyridin-2-one
CID 63279615
1-(3-Bromo-2,2-dimethylpropyl)-5-(trifluoromethyl)pyridin-2-one
CID 64995376
1-(3-Bromo-2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one
CID 64995748
5-Bromomethyl-2-pyridone
CID 12018577
5-Ethyl-1-methylpyridin-2(1H)-one
CID 12220602

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-1-methylpyridin-2-one?
The IUPAC name of 5-(bromomethyl)-1-methylpyridin-2-one (CID 19781644) is 5-(bromomethyl)-1-methylpyridin-2-one.
What is the SMILES notation for 5-(bromomethyl)-1-methylpyridin-2-one?
The canonical SMILES for 5-(bromomethyl)-1-methylpyridin-2-one is Cn1cc(CBr)ccc1=O.
What is the InChIKey of 5-(bromomethyl)-1-methylpyridin-2-one?
The InChIKey is OMMQQECWTWLVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-9-5-6(4-8)2-3-7(9)10/h2-3,5H,4H2,1H3.
What are the key properties of 5-(bromomethyl)-1-methylpyridin-2-one?
5-(bromomethyl)-1-methylpyridin-2-one has a molecular weight of 202.05 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-1-methylpyridin-2-one is sourced from PubChem (CID 19781644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).