2-ethyl-3-hydroxy-1-(1-hydroxypropan-2-yl)pyridin-4-one

C10H15NO3 — CID 19786813

IUPAC2-ethyl-3-hydroxy-1-(1-hydroxypropan-2-yl)pyridin-4-one
SMILESCCc1c(O)c(=O)ccn1C(C)CO
InChIInChI=1S/C10H15NO3/c1-3-8-10(14)9(13)4-5-11(8)7(2)6-12/h4-5,7,12,14H,3,6H2,1-2H3
InChIKeyWRAOHDHWPBIHHR-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.67
Rot. Bonds3

About 2-ethyl-3-hydroxy-1-(1-hydroxypropan-2-yl)pyridin-4-one

2-ethyl-3-hydroxy-1-(1-hydroxypropan-2-yl)pyridin-4-one (PubChem CID 19786813) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-ethyl-3-hydroxy-1-(1-hydroxypropan-2-yl)pyridin-4-one.

Molecular Properties

Compound Name2-ethyl-3-hydroxy-1-(1-hydroxypropan-2-yl)pyridin-4-one
PubChem CID19786813
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-ethyl-3-hydroxy-1-(1-hydroxypropan-2-yl)pyridin-4-one
SMILESCCc1c(O)c(=O)ccn1C(C)CO
InChIInChI=1S/C10H15NO3/c1-3-8-10(14)9(13)4-5-11(8)7(2)6-12/h4-5,7,12,14H,3,6H2,1-2H3
InChIKeyWRAOHDHWPBIHHR-UHFFFAOYSA-N
XLogP0.67
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxy-1-(1-hydroxypropan-2-yl)pyridin-4-one?
The IUPAC name of 2-ethyl-3-hydroxy-1-(1-hydroxypropan-2-yl)pyridin-4-one (CID 19786813) is 2-ethyl-3-hydroxy-1-(1-hydroxypropan-2-yl)pyridin-4-one.
What is the SMILES notation for 2-ethyl-3-hydroxy-1-(1-hydroxypropan-2-yl)pyridin-4-one?
The canonical SMILES for 2-ethyl-3-hydroxy-1-(1-hydroxypropan-2-yl)pyridin-4-one is CCc1c(O)c(=O)ccn1C(C)CO.
What is the InChIKey of 2-ethyl-3-hydroxy-1-(1-hydroxypropan-2-yl)pyridin-4-one?
The InChIKey is WRAOHDHWPBIHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-8-10(14)9(13)4-5-11(8)7(2)6-12/h4-5,7,12,14H,3,6H2,1-2H3.
What are the key properties of 2-ethyl-3-hydroxy-1-(1-hydroxypropan-2-yl)pyridin-4-one?
2-ethyl-3-hydroxy-1-(1-hydroxypropan-2-yl)pyridin-4-one has a molecular weight of 197.23 g/mol, XLogP of 0.67, 3 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-(1-hydroxypropan-2-yl)pyridin-4-one is sourced from PubChem (CID 19786813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).