3-bromo-1-ethyl-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one

C17H20BrNO3 — CID 160746316

IUPAC3-bromo-1-ethyl-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one
SMILESCCn1c(-c2ccc(OCCOC)cc2C)ccc(Br)c1=O
InChIInChI=1S/C17H20BrNO3/c1-4-19-16(8-7-15(18)17(19)20)14-6-5-13(11-12(14)2)22-10-9-21-3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyXBTZULOROMPPLF-UHFFFAOYSA-N
MW366.26 g/mol
LogP3.63
Rot. Bonds6

About 3-bromo-1-ethyl-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one

3-bromo-1-ethyl-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one (PubChem CID 160746316) has the molecular formula C17H20BrNO3 and a molecular weight of 366.26 g/mol. Its IUPAC name is 3-bromo-1-ethyl-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-ethyl-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one
PubChem CID160746316
Molecular FormulaC17H20BrNO3
Molecular Weight366.26 g/mol
Exact Mass365.06
IUPAC Name3-bromo-1-ethyl-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one
SMILESCCn1c(-c2ccc(OCCOC)cc2C)ccc(Br)c1=O
InChIInChI=1S/C17H20BrNO3/c1-4-19-16(8-7-15(18)17(19)20)14-6-5-13(11-12(14)2)22-10-9-21-3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyXBTZULOROMPPLF-UHFFFAOYSA-N
XLogP3.63
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-6-[4-(2-methoxyethoxy)-2-methylphenyl]-1-methylpyridin-2-one
CID 157332522
1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]-3-methylpyridin-2-one
CID 161221111
3-bromo-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethylpyridin-2-one
CID 158626674
3-bromo-1-(2,2-difluoroethyl)-6-[4-(methoxymethoxy)-2-methylphenyl]pyridin-2-one
CID 158395133
6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodopyridin-2-one
CID 146946992
3-chloro-1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one
CID 160891004
6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-ethyl-3-methylpyridin-2-one
CID 148519544
3-bromo-1-ethyl-6-[4-(methoxymethoxy)phenyl]pyridin-2-one
CID 161125403
3-bromo-6-(4-but-2-ynoxy-2-chlorophenyl)-1-ethylpyridin-2-one
CID 158306335
3-bromo-6-(4-methoxy-2-methylphenyl)-1-methylpyridin-2-one
CID 158562062
2-[4-(5-chloro-1-ethyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile
CID 159886636
2-[4-(5-bromo-1-methyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile
CID 160578621

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-ethyl-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one?
The IUPAC name of 3-bromo-1-ethyl-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one (CID 160746316) is 3-bromo-1-ethyl-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-ethyl-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one?
The canonical SMILES for 3-bromo-1-ethyl-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one is CCn1c(-c2ccc(OCCOC)cc2C)ccc(Br)c1=O.
What is the InChIKey of 3-bromo-1-ethyl-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one?
The InChIKey is XBTZULOROMPPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO3/c1-4-19-16(8-7-15(18)17(19)20)14-6-5-13(11-12(14)2)22-10-9-21-3/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 3-bromo-1-ethyl-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one?
3-bromo-1-ethyl-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one has a molecular weight of 366.26 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-ethyl-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one is sourced from PubChem (CID 160746316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).