5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid

C8H9NO3 — CID 3152509

IUPAC5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(=O)[nH]c1C
InChIInChI=1S/C8H9NO3/c1-4-3-6(8(11)12)7(10)9-5(4)2/h3H,1-2H3,(H,9,10)(H,11,12)
InChIKeyRRZTUQQCXRBPRG-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.69
Rot. Bonds1

About 5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid

5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 3152509) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID3152509
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(=O)[nH]c1C
InChIInChI=1S/C8H9NO3/c1-4-3-6(8(11)12)7(10)9-5(4)2/h3H,1-2H3,(H,9,10)(H,11,12)
InChIKeyRRZTUQQCXRBPRG-UHFFFAOYSA-N
XLogP0.69
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid (CID 3152509) is 5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid is Cc1cc(C(=O)O)c(=O)[nH]c1C.
What is the InChIKey of 5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is RRZTUQQCXRBPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-4-3-6(8(11)12)7(10)9-5(4)2/h3H,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid?
5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 167.16 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 3152509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).