3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxylic acid

C8H9NO4 — CID 54720943

IUPAC3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxylic acid
SMILESCc1cc(=O)c(O)c(C(=O)O)n1C
InChIInChI=1S/C8H9NO4/c1-4-3-5(10)7(11)6(8(12)13)9(4)2/h3,11H,1-2H3,(H,12,13)
InChIKeyNNUJOPNUBFAARP-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.10
Rot. Bonds1

About 3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxylic acid

3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxylic acid (PubChem CID 54720943) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxylic acid
PubChem CID54720943
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxylic acid
SMILESCc1cc(=O)c(O)c(C(=O)O)n1C
InChIInChI=1S/C8H9NO4/c1-4-3-5(10)7(11)6(8(12)13)9(4)2/h3,11H,1-2H3,(H,12,13)
InChIKeyNNUJOPNUBFAARP-UHFFFAOYSA-N
XLogP0.10
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxylic acid (CID 54720943) is 3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxylic acid is Cc1cc(=O)c(O)c(C(=O)O)n1C.
What is the InChIKey of 3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxylic acid?
The InChIKey is NNUJOPNUBFAARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-4-3-5(10)7(11)6(8(12)13)9(4)2/h3,11H,1-2H3,(H,12,13).
What are the key properties of 3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxylic acid?
3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxylic acid has a molecular weight of 183.16 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 54720943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).