6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid

C12H17NO4 — CID 82212078

IUPAC6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid
SMILESCc1c(O)c(=O)ccn1CCCCCC(=O)O
InChIInChI=1S/C12H17NO4/c1-9-12(17)10(14)6-8-13(9)7-4-2-3-5-11(15)16/h6,8,17H,2-5,7H2,1H3,(H,15,16)
InChIKeyIDOLAGJNMAMLDS-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.51
Rot. Bonds6

About 6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid

6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid (PubChem CID 82212078) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid.

Molecular Properties

Compound Name6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid
PubChem CID82212078
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid
SMILESCc1c(O)c(=O)ccn1CCCCCC(=O)O
InChIInChI=1S/C12H17NO4/c1-9-12(17)10(14)6-8-13(9)7-4-2-3-5-11(15)16/h6,8,17H,2-5,7H2,1H3,(H,15,16)
InChIKeyIDOLAGJNMAMLDS-UHFFFAOYSA-N
XLogP1.51
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.51
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 6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid?
The IUPAC name of 6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid (CID 82212078) is 6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid.
What is the SMILES notation for 6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid?
The canonical SMILES for 6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid is Cc1c(O)c(=O)ccn1CCCCCC(=O)O.
What is the InChIKey of 6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid?
The InChIKey is IDOLAGJNMAMLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-9-12(17)10(14)6-8-13(9)7-4-2-3-5-11(15)16/h6,8,17H,2-5,7H2,1H3,(H,15,16).
What are the key properties of 6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid?
6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid is sourced from PubChem (CID 82212078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).