3-bromo-6-(2-bromo-4-chlorophenyl)-1-ethyl-3,4-dihydropyridin-2-one

C13H12Br2ClNO — CID 153450717

IUPAC3-bromo-6-(2-bromo-4-chlorophenyl)-1-ethyl-3,4-dihydropyridin-2-one
SMILESCCN1C(=O)C(Br)CC=C1c1ccc(Cl)cc1Br
InChIInChI=1S/C13H12Br2ClNO/c1-2-17-12(6-5-10(14)13(17)18)9-4-3-8(16)7-11(9)15/h3-4,6-7,10H,2,5H2,1H3
InChIKeyRCCLCYDDJWNBQR-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.46
Rot. Bonds2

About 3-bromo-6-(2-bromo-4-chlorophenyl)-1-ethyl-3,4-dihydropyridin-2-one

3-bromo-6-(2-bromo-4-chlorophenyl)-1-ethyl-3,4-dihydropyridin-2-one (PubChem CID 153450717) has the molecular formula C13H12Br2ClNO and a molecular weight of 393.51 g/mol. Its IUPAC name is 3-bromo-6-(2-bromo-4-chlorophenyl)-1-ethyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name3-bromo-6-(2-bromo-4-chlorophenyl)-1-ethyl-3,4-dihydropyridin-2-one
PubChem CID153450717
Molecular FormulaC13H12Br2ClNO
Molecular Weight393.51 g/mol
Exact Mass390.90
IUPAC Name3-bromo-6-(2-bromo-4-chlorophenyl)-1-ethyl-3,4-dihydropyridin-2-one
SMILESCCN1C(=O)C(Br)CC=C1c1ccc(Cl)cc1Br
InChIInChI=1S/C13H12Br2ClNO/c1-2-17-12(6-5-10(14)13(17)18)9-4-3-8(16)7-11(9)15/h3-4,6-7,10H,2,5H2,1H3
InChIKeyRCCLCYDDJWNBQR-UHFFFAOYSA-N
XLogP4.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.46
H-Bond Donors ≤ 50
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 3-bromo-6-(2-bromo-4-chlorophenyl)-1-ethyl-3,4-dihydropyridin-2-one?
The IUPAC name of 3-bromo-6-(2-bromo-4-chlorophenyl)-1-ethyl-3,4-dihydropyridin-2-one (CID 153450717) is 3-bromo-6-(2-bromo-4-chlorophenyl)-1-ethyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 3-bromo-6-(2-bromo-4-chlorophenyl)-1-ethyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 3-bromo-6-(2-bromo-4-chlorophenyl)-1-ethyl-3,4-dihydropyridin-2-one is CCN1C(=O)C(Br)CC=C1c1ccc(Cl)cc1Br.
What is the InChIKey of 3-bromo-6-(2-bromo-4-chlorophenyl)-1-ethyl-3,4-dihydropyridin-2-one?
The InChIKey is RCCLCYDDJWNBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2ClNO/c1-2-17-12(6-5-10(14)13(17)18)9-4-3-8(16)7-11(9)15/h3-4,6-7,10H,2,5H2,1H3.
What are the key properties of 3-bromo-6-(2-bromo-4-chlorophenyl)-1-ethyl-3,4-dihydropyridin-2-one?
3-bromo-6-(2-bromo-4-chlorophenyl)-1-ethyl-3,4-dihydropyridin-2-one has a molecular weight of 393.51 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(2-bromo-4-chlorophenyl)-1-ethyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 153450717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).