1-(2-ethylhexyl)-6-oxopyridine-2-carboxylic acid

C14H21NO3 — CID 114040160

IUPAC1-(2-ethylhexyl)-6-oxopyridine-2-carboxylic acid
SMILESCCCCC(CC)Cn1c(C(=O)O)cccc1=O
InChIInChI=1S/C14H21NO3/c1-3-5-7-11(4-2)10-15-12(14(17)18)8-6-9-13(15)16/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,17,18)
InChIKeyUNXZSHLRYBYVBS-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.76
Rot. Bonds7

About 1-(2-ethylhexyl)-6-oxopyridine-2-carboxylic acid

1-(2-ethylhexyl)-6-oxopyridine-2-carboxylic acid (PubChem CID 114040160) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethylhexyl)-6-oxopyridine-2-carboxylic acid
PubChem CID114040160
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-(2-ethylhexyl)-6-oxopyridine-2-carboxylic acid
SMILESCCCCC(CC)Cn1c(C(=O)O)cccc1=O
InChIInChI=1S/C14H21NO3/c1-3-5-7-11(4-2)10-15-12(14(17)18)8-6-9-13(15)16/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,17,18)
InChIKeyUNXZSHLRYBYVBS-UHFFFAOYSA-N
XLogP2.76
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-ethylhexyl)-6-oxopyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 1-(2-ethylhexyl)-6-oxopyridine-2-carboxylic acid (CID 114040160) is 1-(2-ethylhexyl)-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 1-(2-ethylhexyl)-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 1-(2-ethylhexyl)-6-oxopyridine-2-carboxylic acid is CCCCC(CC)Cn1c(C(=O)O)cccc1=O.
What is the InChIKey of 1-(2-ethylhexyl)-6-oxopyridine-2-carboxylic acid?
The InChIKey is UNXZSHLRYBYVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-5-7-11(4-2)10-15-12(14(17)18)8-6-9-13(15)16/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,17,18).
What are the key properties of 1-(2-ethylhexyl)-6-oxopyridine-2-carboxylic acid?
1-(2-ethylhexyl)-6-oxopyridine-2-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114040160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).