5-bromo-4-methoxy-1-methylpyridin-2-one

C7H8BrNO2 — CID 90025990

IUPAC5-bromo-4-methoxy-1-methylpyridin-2-one
SMILESCOc1cc(=O)n(C)cc1Br
InChIInChI=1S/C7H8BrNO2/c1-9-4-5(8)6(11-2)3-7(9)10/h3-4H,1-2H3
InChIKeyQIXGQKRQDDCFTB-UHFFFAOYSA-N
MW218.05 g/mol
LogP1.16
Rot. Bonds1

About 5-bromo-4-methoxy-1-methylpyridin-2-one

5-bromo-4-methoxy-1-methylpyridin-2-one (PubChem CID 90025990) has the molecular formula C7H8BrNO2 and a molecular weight of 218.05 g/mol. Its IUPAC name is 5-bromo-4-methoxy-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-bromo-4-methoxy-1-methylpyridin-2-one
PubChem CID90025990
Molecular FormulaC7H8BrNO2
Molecular Weight218.05 g/mol
Exact Mass216.97
IUPAC Name5-bromo-4-methoxy-1-methylpyridin-2-one
SMILESCOc1cc(=O)n(C)cc1Br
InChIInChI=1S/C7H8BrNO2/c1-9-4-5(8)6(11-2)3-7(9)10/h3-4H,1-2H3
InChIKeyQIXGQKRQDDCFTB-UHFFFAOYSA-N
XLogP1.16
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-1-methylpyridin-2-one?
The IUPAC name of 5-bromo-4-methoxy-1-methylpyridin-2-one (CID 90025990) is 5-bromo-4-methoxy-1-methylpyridin-2-one.
What is the SMILES notation for 5-bromo-4-methoxy-1-methylpyridin-2-one?
The canonical SMILES for 5-bromo-4-methoxy-1-methylpyridin-2-one is COc1cc(=O)n(C)cc1Br.
What is the InChIKey of 5-bromo-4-methoxy-1-methylpyridin-2-one?
The InChIKey is QIXGQKRQDDCFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2/c1-9-4-5(8)6(11-2)3-7(9)10/h3-4H,1-2H3.
What are the key properties of 5-bromo-4-methoxy-1-methylpyridin-2-one?
5-bromo-4-methoxy-1-methylpyridin-2-one has a molecular weight of 218.05 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-1-methylpyridin-2-one is sourced from PubChem (CID 90025990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).