6-(2-bromo-4-methoxyphenyl)-3-chloro-1-methyl-3,4-dihydropyridin-2-one

C13H13BrClNO2 — CID 153451886

IUPAC6-(2-bromo-4-methoxyphenyl)-3-chloro-1-methyl-3,4-dihydropyridin-2-one
SMILESCOc1ccc(C2=CCC(Cl)C(=O)N2C)c(Br)c1
InChIInChI=1S/C13H13BrClNO2/c1-16-12(6-5-11(15)13(16)17)9-4-3-8(18-2)7-10(9)14/h3-4,6-7,11H,5H2,1-2H3
InChIKeyYPHGDRBPZRQARJ-UHFFFAOYSA-N
MW330.61 g/mol
LogP3.27
Rot. Bonds2

About 6-(2-bromo-4-methoxyphenyl)-3-chloro-1-methyl-3,4-dihydropyridin-2-one

6-(2-bromo-4-methoxyphenyl)-3-chloro-1-methyl-3,4-dihydropyridin-2-one (PubChem CID 153451886) has the molecular formula C13H13BrClNO2 and a molecular weight of 330.61 g/mol. Its IUPAC name is 6-(2-bromo-4-methoxyphenyl)-3-chloro-1-methyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name6-(2-bromo-4-methoxyphenyl)-3-chloro-1-methyl-3,4-dihydropyridin-2-one
PubChem CID153451886
Molecular FormulaC13H13BrClNO2
Molecular Weight330.61 g/mol
Exact Mass328.98
IUPAC Name6-(2-bromo-4-methoxyphenyl)-3-chloro-1-methyl-3,4-dihydropyridin-2-one
SMILESCOc1ccc(C2=CCC(Cl)C(=O)N2C)c(Br)c1
InChIInChI=1S/C13H13BrClNO2/c1-16-12(6-5-11(15)13(16)17)9-4-3-8(18-2)7-10(9)14/h3-4,6-7,11H,5H2,1-2H3
InChIKeyYPHGDRBPZRQARJ-UHFFFAOYSA-N
XLogP3.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.61
LogP ≤ 53.27
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 6-(2-bromo-4-methoxyphenyl)-3-chloro-1-methyl-3,4-dihydropyridin-2-one?
The IUPAC name of 6-(2-bromo-4-methoxyphenyl)-3-chloro-1-methyl-3,4-dihydropyridin-2-one (CID 153451886) is 6-(2-bromo-4-methoxyphenyl)-3-chloro-1-methyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 6-(2-bromo-4-methoxyphenyl)-3-chloro-1-methyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 6-(2-bromo-4-methoxyphenyl)-3-chloro-1-methyl-3,4-dihydropyridin-2-one is COc1ccc(C2=CCC(Cl)C(=O)N2C)c(Br)c1.
What is the InChIKey of 6-(2-bromo-4-methoxyphenyl)-3-chloro-1-methyl-3,4-dihydropyridin-2-one?
The InChIKey is YPHGDRBPZRQARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNO2/c1-16-12(6-5-11(15)13(16)17)9-4-3-8(18-2)7-10(9)14/h3-4,6-7,11H,5H2,1-2H3.
What are the key properties of 6-(2-bromo-4-methoxyphenyl)-3-chloro-1-methyl-3,4-dihydropyridin-2-one?
6-(2-bromo-4-methoxyphenyl)-3-chloro-1-methyl-3,4-dihydropyridin-2-one has a molecular weight of 330.61 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-methoxyphenyl)-3-chloro-1-methyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 153451886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).