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

C8H9NO4 — CID 54676123

IUPAC2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetic acid
SMILESCc1cc(O)cc(=O)n1CC(=O)O
InChIInChI=1S/C8H9NO4/c1-5-2-6(10)3-7(11)9(5)4-8(12)13/h2-3,10H,4H2,1H3,(H,12,13)
InChIKeyJLGJWODOUODIBY-UHFFFAOYSA-N
MW183.16 g/mol
LogP-0.05
Rot. Bonds2

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

2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetic acid (PubChem CID 54676123) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetic acid
PubChem CID54676123
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetic acid
SMILESCc1cc(O)cc(=O)n1CC(=O)O
InChIInChI=1S/C8H9NO4/c1-5-2-6(10)3-7(11)9(5)4-8(12)13/h2-3,10H,4H2,1H3,(H,12,13)
InChIKeyJLGJWODOUODIBY-UHFFFAOYSA-N
XLogP-0.05
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetic acid (CID 54676123) is 2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetic acid is Cc1cc(O)cc(=O)n1CC(=O)O.
What is the InChIKey of 2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetic acid?
The InChIKey is JLGJWODOUODIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-5-2-6(10)3-7(11)9(5)4-8(12)13/h2-3,10H,4H2,1H3,(H,12,13).
What are the key properties of 2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetic acid?
2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetic acid has a molecular weight of 183.16 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 54676123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).