5-(bromomethyl)-3-methyl-1H-pyridin-2-one

C7H8BrNO — CID 130935566

IUPAC5-(bromomethyl)-3-methyl-1H-pyridin-2-one
SMILESCc1cc(CBr)c[nH]c1=O
InChIInChI=1S/C7H8BrNO/c1-5-2-6(3-8)4-9-7(5)10/h2,4H,3H2,1H3,(H,9,10)
InChIKeyDVQLBSSDCDVPLB-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.58
Rot. Bonds1

About 5-(bromomethyl)-3-methyl-1H-pyridin-2-one

5-(bromomethyl)-3-methyl-1H-pyridin-2-one (PubChem CID 130935566) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 5-(bromomethyl)-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(bromomethyl)-3-methyl-1H-pyridin-2-one
PubChem CID130935566
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name5-(bromomethyl)-3-methyl-1H-pyridin-2-one
SMILESCc1cc(CBr)c[nH]c1=O
InChIInChI=1S/C7H8BrNO/c1-5-2-6(3-8)4-9-7(5)10/h2,4H,3H2,1H3,(H,9,10)
InChIKeyDVQLBSSDCDVPLB-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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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5-(bromomethyl)-3-methyl-1H-pyridin-2-one (CID 130935566) is 5-(bromomethyl)-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(bromomethyl)-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-(bromomethyl)-3-methyl-1H-pyridin-2-one is Cc1cc(CBr)c[nH]c1=O.
What is the InChIKey of 5-(bromomethyl)-3-methyl-1H-pyridin-2-one?
The InChIKey is DVQLBSSDCDVPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-5-2-6(3-8)4-9-7(5)10/h2,4H,3H2,1H3,(H,9,10).
What are the key properties of 5-(bromomethyl)-3-methyl-1H-pyridin-2-one?
5-(bromomethyl)-3-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 5-(bromomethyl)-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 130935566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).