5-hydroxy-1-pyridin-3-ylpentan-2-one

C10H13NO2 — CID 106677611

IUPAC5-hydroxy-1-pyridin-3-ylpentan-2-one
SMILESO=C(CCCO)Cc1cccnc1
InChIInChI=1S/C10H13NO2/c12-6-2-4-10(13)7-9-3-1-5-11-8-9/h1,3,5,8,12H,2,4,6-7H2
InChIKeySODPFQLYHOXCHY-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.97
Rot. Bonds5

About 5-hydroxy-1-pyridin-3-ylpentan-2-one

5-hydroxy-1-pyridin-3-ylpentan-2-one (PubChem CID 106677611) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-hydroxy-1-pyridin-3-ylpentan-2-one.

Molecular Properties

Compound Name5-hydroxy-1-pyridin-3-ylpentan-2-one
PubChem CID106677611
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name5-hydroxy-1-pyridin-3-ylpentan-2-one
SMILESO=C(CCCO)Cc1cccnc1
InChIInChI=1S/C10H13NO2/c12-6-2-4-10(13)7-9-3-1-5-11-8-9/h1,3,5,8,12H,2,4,6-7H2
InChIKeySODPFQLYHOXCHY-UHFFFAOYSA-N
XLogP0.97
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-3-yldecan-2-one
CID 62621024
1-pyridin-3-yl-4-pyridin-4-ylbutan-2-one
CID 105127753
5-methyl-1-pyridin-3-ylhex-5-en-2-one
CID 114473524
1-bromo-3-pyridin-3-ylpropan-2-one;hydrobromide
CID 44818466
5-[4-(2-methylphenyl)phenyl]-1-pyridin-3-ylpentan-2-one
CID 147437155
4-ethoxy-1-pyridin-3-ylbutan-2-one
CID 94504995
1-pyridin-3-ylpent-4-yn-2-one
CID 62551536
1-(4-tert-butylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621034
4-methyl-1-pyridin-3-ylpentan-2-one
CID 12999593
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
tert-butyl 4-oxo-5-pyridin-3-ylpentanoate
CID 58498103
4-(3-aminophenyl)-1-pyridin-3-ylbutan-2-one
CID 116603391

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-pyridin-3-ylpentan-2-one?
The IUPAC name of 5-hydroxy-1-pyridin-3-ylpentan-2-one (CID 106677611) is 5-hydroxy-1-pyridin-3-ylpentan-2-one.
What is the SMILES notation for 5-hydroxy-1-pyridin-3-ylpentan-2-one?
The canonical SMILES for 5-hydroxy-1-pyridin-3-ylpentan-2-one is O=C(CCCO)Cc1cccnc1.
What is the InChIKey of 5-hydroxy-1-pyridin-3-ylpentan-2-one?
The InChIKey is SODPFQLYHOXCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c12-6-2-4-10(13)7-9-3-1-5-11-8-9/h1,3,5,8,12H,2,4,6-7H2.
What are the key properties of 5-hydroxy-1-pyridin-3-ylpentan-2-one?
5-hydroxy-1-pyridin-3-ylpentan-2-one has a molecular weight of 179.22 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-pyridin-3-ylpentan-2-one is sourced from PubChem (CID 106677611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).