3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one

C14H14BrNO2 — CID 82518417

IUPAC3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one
SMILESCCOc1cccc(-c2ccc(CBr)c(=O)[nH]2)c1
InChIInChI=1S/C14H14BrNO2/c1-2-18-12-5-3-4-10(8-12)13-7-6-11(9-15)14(17)16-13/h3-8H,2,9H2,1H3,(H,16,17)
InChIKeyFREHZORAHUZFJS-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.34
Rot. Bonds4

About 3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one

3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one (PubChem CID 82518417) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one
PubChem CID82518417
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one
SMILESCCOc1cccc(-c2ccc(CBr)c(=O)[nH]2)c1
InChIInChI=1S/C14H14BrNO2/c1-2-18-12-5-3-4-10(8-12)13-7-6-11(9-15)14(17)16-13/h3-8H,2,9H2,1H3,(H,16,17)
InChIKeyFREHZORAHUZFJS-UHFFFAOYSA-N
XLogP3.34
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1H-pyridin-2-one
CID 82518431
ethane;3-ethyl-6-phenyl-1H-pyridin-2-one
CID 145103811
6-(3-ethoxyphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106519859
3-(3-ethoxyphenyl)-1H-pyridin-2-one
CID 53217766
3-(bromomethyl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one
CID 82520471
2-oxo-6-(3-propoxyphenyl)-1H-pyridine-3-carbohydrazide
CID 82518239
ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490254
4-(bromomethyl)-2-(3-ethoxyphenyl)-1,3-thiazole
CID 82516061
4-(bromomethyl)-6-ethoxy-1H-quinolin-2-one
CID 83665775
2-(3-ethoxyphenyl)-1H-pyridine-4-thione
CID 106519869
4-(3-ethoxyphenyl)-1H-pyridazin-6-one
CID 106519861
6-ethoxy-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 101076460

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one (CID 82518417) is 3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one is CCOc1cccc(-c2ccc(CBr)c(=O)[nH]2)c1.
What is the InChIKey of 3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one?
The InChIKey is FREHZORAHUZFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-2-18-12-5-3-4-10(8-12)13-7-6-11(9-15)14(17)16-13/h3-8H,2,9H2,1H3,(H,16,17).
What are the key properties of 3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one?
3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one has a molecular weight of 308.18 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 82518417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).