1-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methylbutan-1-one

C11H15NO3 — CID 126489558

IUPAC1-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)c1nccc(OC)c1O
InChIInChI=1S/C11H15NO3/c1-4-7(2)10(13)9-11(14)8(15-3)5-6-12-9/h5-7,14H,4H2,1-3H3
InChIKeyVKMQGJGOCZOARM-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.02
Rot. Bonds4

About 1-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methylbutan-1-one

1-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methylbutan-1-one (PubChem CID 126489558) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methylbutan-1-one
PubChem CID126489558
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name1-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)c1nccc(OC)c1O
InChIInChI=1S/C11H15NO3/c1-4-7(2)10(13)9-11(14)8(15-3)5-6-12-9/h5-7,14H,4H2,1-3H3
InChIKeyVKMQGJGOCZOARM-UHFFFAOYSA-N
XLogP2.02
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-4-methoxy-N-propan-2-ylpyridine-2-carboxamide
CID 142553714
N,N-diethyl-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 174184985
3-hydroxy-4-methoxy-N-[(2S)-3-oxobutan-2-yl]pyridine-2-carboxamide
CID 163574923
[(2S)-1,1-bis(4-fluorophenyl)propan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]butanoate
CID 121463633
3-hydroxy-4-methoxy-N-(1-oxopropan-2-yl)pyridine-2-carboxamide
CID 138538614
N-heptyl-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 21088900
hexan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate
CID 146481386
1,1-bis(3-methoxy-2-methylphenyl)propan-2-yl (2R)-4-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate
CID 158898811
3-hydroxy-4-methoxy-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 142046009
[(1R,2S)-1-(2-methoxyphenyl)-1-phenoxypropan-2-yl] (2R)-4-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate
CID 160757988
benzene;1-(4-fluorophenyl)propan-2-yl propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide
CID 145114321
[(1R,2R)-1-methoxy-1-phenylpropan-2-yl] (2R)-4-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate
CID 161267229

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methylbutan-1-one?
The IUPAC name of 1-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methylbutan-1-one (CID 126489558) is 1-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methylbutan-1-one.
What is the SMILES notation for 1-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methylbutan-1-one?
The canonical SMILES for 1-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methylbutan-1-one is CCC(C)C(=O)c1nccc(OC)c1O.
What is the InChIKey of 1-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methylbutan-1-one?
The InChIKey is VKMQGJGOCZOARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-4-7(2)10(13)9-11(14)8(15-3)5-6-12-9/h5-7,14H,4H2,1-3H3.
What are the key properties of 1-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methylbutan-1-one?
1-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methylbutan-1-one has a molecular weight of 209.24 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methylbutan-1-one is sourced from PubChem (CID 126489558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).