2-ethyl-3-hydroxy-1-(5-hydroxypentyl)pyridin-4-one

C12H19NO3 — CID 82212075

IUPAC2-ethyl-3-hydroxy-1-(5-hydroxypentyl)pyridin-4-one
SMILESCCc1c(O)c(=O)ccn1CCCCCO
InChIInChI=1S/C12H19NO3/c1-2-10-12(16)11(15)6-8-13(10)7-4-3-5-9-14/h6,8,14,16H,2-5,7,9H2,1H3
InChIKeyCDJHLMSSSCPKKV-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.28
Rot. Bonds6

About 2-ethyl-3-hydroxy-1-(5-hydroxypentyl)pyridin-4-one

2-ethyl-3-hydroxy-1-(5-hydroxypentyl)pyridin-4-one (PubChem CID 82212075) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-ethyl-3-hydroxy-1-(5-hydroxypentyl)pyridin-4-one.

Molecular Properties

Compound Name2-ethyl-3-hydroxy-1-(5-hydroxypentyl)pyridin-4-one
PubChem CID82212075
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-ethyl-3-hydroxy-1-(5-hydroxypentyl)pyridin-4-one
SMILESCCc1c(O)c(=O)ccn1CCCCCO
InChIInChI=1S/C12H19NO3/c1-2-10-12(16)11(15)6-8-13(10)7-4-3-5-9-14/h6,8,14,16H,2-5,7,9H2,1H3
InChIKeyCDJHLMSSSCPKKV-UHFFFAOYSA-N
XLogP1.28
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxy-1-(5-hydroxypentyl)pyridin-4-one?
The IUPAC name of 2-ethyl-3-hydroxy-1-(5-hydroxypentyl)pyridin-4-one (CID 82212075) is 2-ethyl-3-hydroxy-1-(5-hydroxypentyl)pyridin-4-one.
What is the SMILES notation for 2-ethyl-3-hydroxy-1-(5-hydroxypentyl)pyridin-4-one?
The canonical SMILES for 2-ethyl-3-hydroxy-1-(5-hydroxypentyl)pyridin-4-one is CCc1c(O)c(=O)ccn1CCCCCO.
What is the InChIKey of 2-ethyl-3-hydroxy-1-(5-hydroxypentyl)pyridin-4-one?
The InChIKey is CDJHLMSSSCPKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-2-10-12(16)11(15)6-8-13(10)7-4-3-5-9-14/h6,8,14,16H,2-5,7,9H2,1H3.
What are the key properties of 2-ethyl-3-hydroxy-1-(5-hydroxypentyl)pyridin-4-one?
2-ethyl-3-hydroxy-1-(5-hydroxypentyl)pyridin-4-one has a molecular weight of 225.29 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxy-1-(5-hydroxypentyl)pyridin-4-one is sourced from PubChem (CID 82212075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).