3-bromo-1-ethyl-6-[4-(methoxymethoxy)phenyl]pyridin-2-one

C15H16BrNO3 — CID 161125403

IUPAC3-bromo-1-ethyl-6-[4-(methoxymethoxy)phenyl]pyridin-2-one
SMILESCCn1c(-c2ccc(OCOC)cc2)ccc(Br)c1=O
InChIInChI=1S/C15H16BrNO3/c1-3-17-14(9-8-13(16)15(17)18)11-4-6-12(7-5-11)20-10-19-2/h4-9H,3,10H2,1-2H3
InChIKeySJBOKAHTMOBNQR-UHFFFAOYSA-N
MW338.20 g/mol
LogP3.28
Rot. Bonds5

About 3-bromo-1-ethyl-6-[4-(methoxymethoxy)phenyl]pyridin-2-one

3-bromo-1-ethyl-6-[4-(methoxymethoxy)phenyl]pyridin-2-one (PubChem CID 161125403) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 3-bromo-1-ethyl-6-[4-(methoxymethoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-ethyl-6-[4-(methoxymethoxy)phenyl]pyridin-2-one
PubChem CID161125403
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name3-bromo-1-ethyl-6-[4-(methoxymethoxy)phenyl]pyridin-2-one
SMILESCCn1c(-c2ccc(OCOC)cc2)ccc(Br)c1=O
InChIInChI=1S/C15H16BrNO3/c1-3-17-14(9-8-13(16)15(17)18)11-4-6-12(7-5-11)20-10-19-2/h4-9H,3,10H2,1-2H3
InChIKeySJBOKAHTMOBNQR-UHFFFAOYSA-N
XLogP3.28
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-bromo-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-ethylpyridin-2-one
CID 148744943
6-(4-bromophenyl)-1-ethyl-3-iodopyridin-2-one
CID 162212561
3-bromo-1-ethyl-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one
CID 160746316
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
1-ethyl-2-[4-(methoxymethoxy)phenyl]-5-methyl-3H-pyridin-3-id-6-one;yttrium
CID 148790144
2-[4-(1-ethyl-5-methyl-6-oxo-2-pyridinyl)phenoxy]acetonitrile
CID 158452584
2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid
CID 82517930
1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid
CID 82517790
1,4-bis(methoxymethoxy)benzene
CID 542643
1-ethyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbaldehyde
CID 82517740
1-methoxy-4-[4-(methoxymethoxy)phenyl]benzene
CID 58029226

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-ethyl-6-[4-(methoxymethoxy)phenyl]pyridin-2-one?
The IUPAC name of 3-bromo-1-ethyl-6-[4-(methoxymethoxy)phenyl]pyridin-2-one (CID 161125403) is 3-bromo-1-ethyl-6-[4-(methoxymethoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-ethyl-6-[4-(methoxymethoxy)phenyl]pyridin-2-one?
The canonical SMILES for 3-bromo-1-ethyl-6-[4-(methoxymethoxy)phenyl]pyridin-2-one is CCn1c(-c2ccc(OCOC)cc2)ccc(Br)c1=O.
What is the InChIKey of 3-bromo-1-ethyl-6-[4-(methoxymethoxy)phenyl]pyridin-2-one?
The InChIKey is SJBOKAHTMOBNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-3-17-14(9-8-13(16)15(17)18)11-4-6-12(7-5-11)20-10-19-2/h4-9H,3,10H2,1-2H3.
What are the key properties of 3-bromo-1-ethyl-6-[4-(methoxymethoxy)phenyl]pyridin-2-one?
3-bromo-1-ethyl-6-[4-(methoxymethoxy)phenyl]pyridin-2-one has a molecular weight of 338.20 g/mol, XLogP of 3.28, 5 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-(methoxymethoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 161125403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).