3-bromo-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one

C10H14BrNO2 — CID 90042198

IUPAC3-bromo-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one
SMILESCOCC(C)n1ccc(=O)c(Br)c1C
InChIInChI=1S/C10H14BrNO2/c1-7(6-14-3)12-5-4-9(13)10(11)8(12)2/h4-5,7H,6H2,1-3H3
InChIKeyRGLVJUGFIGAFMY-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.13
Rot. Bonds3

About 3-bromo-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one

3-bromo-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one (PubChem CID 90042198) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 3-bromo-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name3-bromo-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one
PubChem CID90042198
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name3-bromo-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one
SMILESCOCC(C)n1ccc(=O)c(Br)c1C
InChIInChI=1S/C10H14BrNO2/c1-7(6-14-3)12-5-4-9(13)10(11)8(12)2/h4-5,7H,6H2,1-3H3
InChIKeyRGLVJUGFIGAFMY-UHFFFAOYSA-N
XLogP2.13
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one?
The IUPAC name of 3-bromo-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one (CID 90042198) is 3-bromo-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one.
What is the SMILES notation for 3-bromo-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one?
The canonical SMILES for 3-bromo-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one is COCC(C)n1ccc(=O)c(Br)c1C.
What is the InChIKey of 3-bromo-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one?
The InChIKey is RGLVJUGFIGAFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-7(6-14-3)12-5-4-9(13)10(11)8(12)2/h4-5,7H,6H2,1-3H3.
What are the key properties of 3-bromo-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one?
3-bromo-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one has a molecular weight of 260.13 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one is sourced from PubChem (CID 90042198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).