3-hydroxy-1-(3-hydroxybutyl)-2-methylpyridin-4-one

C10H15NO3 — CID 50898624

IUPAC3-hydroxy-1-(3-hydroxybutyl)-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1CCC(C)O
InChIInChI=1S/C10H15NO3/c1-7(12)3-5-11-6-4-9(13)10(14)8(11)2/h4,6-7,12,14H,3,5H2,1-2H3
InChIKeyDNEIIYWWQKXBNR-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.63
Rot. Bonds3

About 3-hydroxy-1-(3-hydroxybutyl)-2-methylpyridin-4-one

3-hydroxy-1-(3-hydroxybutyl)-2-methylpyridin-4-one (PubChem CID 50898624) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-hydroxy-1-(3-hydroxybutyl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-(3-hydroxybutyl)-2-methylpyridin-4-one
PubChem CID50898624
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-hydroxy-1-(3-hydroxybutyl)-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1CCC(C)O
InChIInChI=1S/C10H15NO3/c1-7(12)3-5-11-6-4-9(13)10(14)8(11)2/h4,6-7,12,14H,3,5H2,1-2H3
InChIKeyDNEIIYWWQKXBNR-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Deferiprone
CID 2972
CP 94
CID 86322
3-Hydroxy-2-methyl-1-propyl-4(1H)-pyridone
CID 121732
1-Ethyl-3-hydroxy-2-methyl-4-pyridinone
CID 94413
3-Hydroxy-1-(2-methoxyethyl)-2-methyl-4(1H)-pyridinone
CID 86345
4(1H)-Pyridinone, 2-ethyl-3-hydroxy-1-(2-methoxyethyl)-
CID 86380
1-Allyl-2-methyl-3-hydroxypyrid-4-one
CID 3012091
2-Ethyl-3-hydroxy-1-methyl-4(1H)-pyridinone
CID 86320
3-Hydroxy-1-(2-hydroxyethyl)-2-methyl-4(1H)-pyridinone
CID 94414
1-Butyl-2-methyl-3-hydroxypyridin-4-one
CID 121733
4(1H)-Pyridinone, 3-hydroxy-2-methyl-1-pentyl-
CID 121734
CP 102
CID 86379

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(3-hydroxybutyl)-2-methylpyridin-4-one?
The IUPAC name of 3-hydroxy-1-(3-hydroxybutyl)-2-methylpyridin-4-one (CID 50898624) is 3-hydroxy-1-(3-hydroxybutyl)-2-methylpyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-(3-hydroxybutyl)-2-methylpyridin-4-one?
The canonical SMILES for 3-hydroxy-1-(3-hydroxybutyl)-2-methylpyridin-4-one is Cc1c(O)c(=O)ccn1CCC(C)O.
What is the InChIKey of 3-hydroxy-1-(3-hydroxybutyl)-2-methylpyridin-4-one?
The InChIKey is DNEIIYWWQKXBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(12)3-5-11-6-4-9(13)10(14)8(11)2/h4,6-7,12,14H,3,5H2,1-2H3.
What are the key properties of 3-hydroxy-1-(3-hydroxybutyl)-2-methylpyridin-4-one?
3-hydroxy-1-(3-hydroxybutyl)-2-methylpyridin-4-one has a molecular weight of 197.23 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(3-hydroxybutyl)-2-methylpyridin-4-one is sourced from PubChem (CID 50898624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).