2-hydroxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one

C11H15NO2 — CID 103455104

IUPAC2-hydroxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one
SMILESCc1ccc(C(=O)C(O)C(C)C)cn1
InChIInChI=1S/C11H15NO2/c1-7(2)10(13)11(14)9-5-4-8(3)12-6-9/h4-7,10,13H,1-3H3
InChIKeyBRRDLQFRAWHDPQ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.59
Rot. Bonds3

About 2-hydroxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one

2-hydroxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one (PubChem CID 103455104) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one.

Molecular Properties

Compound Name2-hydroxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one
PubChem CID103455104
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-hydroxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one
SMILESCc1ccc(C(=O)C(O)C(C)C)cn1
InChIInChI=1S/C11H15NO2/c1-7(2)10(13)11(14)9-5-4-8(3)12-6-9/h4-7,10,13H,1-3H3
InChIKeyBRRDLQFRAWHDPQ-UHFFFAOYSA-N
XLogP1.59
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-1-(6-methyl-3-pyridinyl)ethanone
CID 112574268
2-cyclopropyl-2-hydroxy-1-(6-methyl-3-pyridinyl)ethanone
CID 103455679
2-(aminomethyl)-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-one
CID 116597825
1-(6-methyl-3-pyridinyl)ethanone;hydrochloride
CID 67521674
N-[(2R)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 83031410
2-(aminomethyl)-1-(6-methyl-3-pyridinyl)butan-1-one
CID 116575014
(2R)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid
CID 30066832
2-(aminomethyl)-1-(6-methyl-3-pyridinyl)pentan-1-one
CID 116574417
3-hydroxy-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid
CID 16784411
2-cyclopropyl-2-methoxy-1-(6-methyl-3-pyridinyl)ethanone
CID 116709132
2-(6-methyl-3-pyridinyl)-2-oxoacetamide
CID 57047401
2-methyl-4-(6-methyl-3-pyridinyl)-4-oxobutanoic acid
CID 104823190

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one?
The IUPAC name of 2-hydroxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one (CID 103455104) is 2-hydroxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one.
What is the SMILES notation for 2-hydroxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one?
The canonical SMILES for 2-hydroxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one is Cc1ccc(C(=O)C(O)C(C)C)cn1.
What is the InChIKey of 2-hydroxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one?
The InChIKey is BRRDLQFRAWHDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7(2)10(13)11(14)9-5-4-8(3)12-6-9/h4-7,10,13H,1-3H3.
What are the key properties of 2-hydroxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one?
2-hydroxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one has a molecular weight of 193.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one is sourced from PubChem (CID 103455104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).