3-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)pentan-1-one

C13H19NO2 — CID 103458369

IUPAC3-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)pentan-1-one
SMILESCCC(CC)C(O)C(=O)c1cncc(C)c1
InChIInChI=1S/C13H19NO2/c1-4-10(5-2)12(15)13(16)11-6-9(3)7-14-8-11/h6-8,10,12,15H,4-5H2,1-3H3
InChIKeyHHUVYHJBELGBIW-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.37
Rot. Bonds5

About 3-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)pentan-1-one

3-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)pentan-1-one (PubChem CID 103458369) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)pentan-1-one.

Molecular Properties

Compound Name3-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)pentan-1-one
PubChem CID103458369
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)pentan-1-one
SMILESCCC(CC)C(O)C(=O)c1cncc(C)c1
InChIInChI=1S/C13H19NO2/c1-4-10(5-2)12(15)13(16)11-6-9(3)7-14-8-11/h6-8,10,12,15H,4-5H2,1-3H3
InChIKeyHHUVYHJBELGBIW-UHFFFAOYSA-N
XLogP2.37
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-3-ethyl-2-hydroxypentan-1-one
CID 103458340
2-methoxy-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-one
CID 116708503
ethyl 4-methoxy-2-(5-methylpyridine-3-carbonyl)-3-oxobutanoate
CID 57485968
2-methylpropane;5-methylpyridine-3-carboxamide
CID 165136425
1-(5-methyl-3-pyridinyl)pentan-1-one
CID 115374044
2-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)butan-1-one
CID 103446963
ethyl 6-acetyloxy-4-(5-methylpyridine-3-carbonyl)-5-oxohexanoate
CID 68802499
3-[(5-methyl-3-pyridinyl)methyl]pentan-2-ol
CID 102878483
2-cyclohexyl-2-methoxy-1-(5-methyl-3-pyridinyl)ethanone
CID 116750950
N-(1-bromopropan-2-yl)-N,5-dimethylpyridine-3-carboxamide
CID 104556158
3-(ethylamino)-1-(5-methyl-3-pyridinyl)butan-1-one
CID 116566748
ethyl 3-(5-methyl-3-pyridinyl)-3-oxopropanoate
CID 142316844

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)pentan-1-one?
The IUPAC name of 3-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)pentan-1-one (CID 103458369) is 3-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)pentan-1-one.
What is the SMILES notation for 3-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)pentan-1-one?
The canonical SMILES for 3-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)pentan-1-one is CCC(CC)C(O)C(=O)c1cncc(C)c1.
What is the InChIKey of 3-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)pentan-1-one?
The InChIKey is HHUVYHJBELGBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-10(5-2)12(15)13(16)11-6-9(3)7-14-8-11/h6-8,10,12,15H,4-5H2,1-3H3.
What are the key properties of 3-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)pentan-1-one?
3-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)pentan-1-one has a molecular weight of 221.30 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)pentan-1-one is sourced from PubChem (CID 103458369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).