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

C7H8BrNO — CID 67145043

IUPAC4-(bromomethyl)-1-methylpyridin-2-one
SMILESCn1ccc(CBr)cc1=O
InChIInChI=1S/C7H8BrNO/c1-9-3-2-6(5-8)4-7(9)10/h2-4H,5H2,1H3
InChIKeyTXLBLTVJLCDDJQ-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.28
Rot. Bonds1

About 4-(bromomethyl)-1-methylpyridin-2-one

4-(bromomethyl)-1-methylpyridin-2-one (PubChem CID 67145043) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 4-(bromomethyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-methylpyridin-2-one
PubChem CID67145043
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name4-(bromomethyl)-1-methylpyridin-2-one
SMILESCn1ccc(CBr)cc1=O
InChIInChI=1S/C7H8BrNO/c1-9-3-2-6(5-8)4-7(9)10/h2-4H,5H2,1H3
InChIKeyTXLBLTVJLCDDJQ-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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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-methylpyridin-2-one?
The IUPAC name of 4-(bromomethyl)-1-methylpyridin-2-one (CID 67145043) is 4-(bromomethyl)-1-methylpyridin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-methylpyridin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-methylpyridin-2-one is Cn1ccc(CBr)cc1=O.
What is the InChIKey of 4-(bromomethyl)-1-methylpyridin-2-one?
The InChIKey is TXLBLTVJLCDDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-9-3-2-6(5-8)4-7(9)10/h2-4H,5H2,1H3.
What are the key properties of 4-(bromomethyl)-1-methylpyridin-2-one?
4-(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 4-(bromomethyl)-1-methylpyridin-2-one is sourced from PubChem (CID 67145043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).