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

C8H9NO3 — CID 14998715

IUPAC1,6-dimethyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1C
InChIInChI=1S/C8H9NO3/c1-5-3-4-6(8(11)12)7(10)9(5)2/h3-4H,1-2H3,(H,11,12)
InChIKeyVNVVNIRZCHXSGD-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.39
Rot. Bonds1

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

1,6-dimethyl-2-oxopyridine-3-carboxylic acid (PubChem CID 14998715) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 1,6-dimethyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1,6-dimethyl-2-oxopyridine-3-carboxylic acid
PubChem CID14998715
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name1,6-dimethyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1C
InChIInChI=1S/C8H9NO3/c1-5-3-4-6(8(11)12)7(10)9(5)2/h3-4H,1-2H3,(H,11,12)
InChIKeyVNVVNIRZCHXSGD-UHFFFAOYSA-N
XLogP0.39
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1,6-dimethyl-2-oxopyridine-3-carboxylic acid (CID 14998715) is 1,6-dimethyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1,6-dimethyl-2-oxopyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(=O)n1C.
What is the InChIKey of 1,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is VNVVNIRZCHXSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-5-3-4-6(8(11)12)7(10)9(5)2/h3-4H,1-2H3,(H,11,12).
What are the key properties of 1,6-dimethyl-2-oxopyridine-3-carboxylic acid?
1,6-dimethyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 167.16 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 14998715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).