3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid

C9H11NO3 — CID 84718448

IUPAC3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid
SMILESCCc1ccc(=O)n(C)c1C(=O)O
InChIInChI=1S/C9H11NO3/c1-3-6-4-5-7(11)10(2)8(6)9(12)13/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyDREUQOOJHRTOHO-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.65
Rot. Bonds2

About 3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid

3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid (PubChem CID 84718448) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid
PubChem CID84718448
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid
SMILESCCc1ccc(=O)n(C)c1C(=O)O
InChIInChI=1S/C9H11NO3/c1-3-6-4-5-7(11)10(2)8(6)9(12)13/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyDREUQOOJHRTOHO-UHFFFAOYSA-N
XLogP0.65
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid (CID 84718448) is 3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid is CCc1ccc(=O)n(C)c1C(=O)O.
What is the InChIKey of 3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid?
The InChIKey is DREUQOOJHRTOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-3-6-4-5-7(11)10(2)8(6)9(12)13/h4-5H,3H2,1-2H3,(H,12,13).
What are the key properties of 3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid?
3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 84718448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).