2-hydroxy-1-(4-methyl-3-pyridinyl)pentan-1-one

C11H15NO2 — CID 103453788

IUPAC2-hydroxy-1-(4-methyl-3-pyridinyl)pentan-1-one
SMILESCCCC(O)C(=O)c1cnccc1C
InChIInChI=1S/C11H15NO2/c1-3-4-10(13)11(14)9-7-12-6-5-8(9)2/h5-7,10,13H,3-4H2,1-2H3
InChIKeyHHLUUNVKGZCZFE-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.73
Rot. Bonds4

About 2-hydroxy-1-(4-methyl-3-pyridinyl)pentan-1-one

2-hydroxy-1-(4-methyl-3-pyridinyl)pentan-1-one (PubChem CID 103453788) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-hydroxy-1-(4-methyl-3-pyridinyl)pentan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(4-methyl-3-pyridinyl)pentan-1-one
PubChem CID103453788
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-hydroxy-1-(4-methyl-3-pyridinyl)pentan-1-one
SMILESCCCC(O)C(=O)c1cnccc1C
InChIInChI=1S/C11H15NO2/c1-3-4-10(13)11(14)9-7-12-6-5-8(9)2/h5-7,10,13H,3-4H2,1-2H3
InChIKeyHHLUUNVKGZCZFE-UHFFFAOYSA-N
XLogP1.73
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-one
CID 116574061
4-methylpyridine-3-carbonyl chloride
CID 22386188
2-hydroxy-2-methyl-1-(4-methyl-3-pyridinyl)butan-1-one
CID 103446599
2-bromo-1-(4-methyl-3-pyridinyl)ethanone;hydrochloride
CID 86636889
(Z)-2-ethyl-1-(4-methyl-3-pyridinyl)but-2-en-1-one
CID 103447311
methyl 4-methylpyridine-3-carboxylate
CID 10877301
3-(ethylamino)-1-(4-methyl-3-pyridinyl)butan-1-one
CID 116566853
2-cyclopropyl-2-methoxy-1-(4-methyl-3-pyridinyl)ethanone
CID 116709093
2-(dimethylamino)-1-(4-methyl-3-pyridinyl)ethanone
CID 79078017
1-(4-methyl-3-pyridinyl)prop-2-en-1-one
CID 112704889
4-amino-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-one
CID 116596719
2-(aminomethyl)-2-ethyl-1-(4-methyl-3-pyridinyl)butan-1-one
CID 116603939

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(4-methyl-3-pyridinyl)pentan-1-one?
The IUPAC name of 2-hydroxy-1-(4-methyl-3-pyridinyl)pentan-1-one (CID 103453788) is 2-hydroxy-1-(4-methyl-3-pyridinyl)pentan-1-one.
What is the SMILES notation for 2-hydroxy-1-(4-methyl-3-pyridinyl)pentan-1-one?
The canonical SMILES for 2-hydroxy-1-(4-methyl-3-pyridinyl)pentan-1-one is CCCC(O)C(=O)c1cnccc1C.
What is the InChIKey of 2-hydroxy-1-(4-methyl-3-pyridinyl)pentan-1-one?
The InChIKey is HHLUUNVKGZCZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-4-10(13)11(14)9-7-12-6-5-8(9)2/h5-7,10,13H,3-4H2,1-2H3.
What are the key properties of 2-hydroxy-1-(4-methyl-3-pyridinyl)pentan-1-one?
2-hydroxy-1-(4-methyl-3-pyridinyl)pentan-1-one has a molecular weight of 193.25 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(4-methyl-3-pyridinyl)pentan-1-one is sourced from PubChem (CID 103453788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).