2-ethyl-6-oxo-4,5-dihydro-3H-pyridine-4-carboxylic acid

C8H11NO3 — CID 57357094

IUPAC2-ethyl-6-oxo-4,5-dihydro-3H-pyridine-4-carboxylic acid
SMILESCCC1=NC(=O)CC(C(=O)O)C1
InChIInChI=1S/C8H11NO3/c1-2-6-3-5(8(11)12)4-7(10)9-6/h5H,2-4H2,1H3,(H,11,12)
InChIKeyRXPUZTIYHQTNEM-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.86
Rot. Bonds2

About 2-ethyl-6-oxo-4,5-dihydro-3H-pyridine-4-carboxylic acid

2-ethyl-6-oxo-4,5-dihydro-3H-pyridine-4-carboxylic acid (PubChem CID 57357094) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-ethyl-6-oxo-4,5-dihydro-3H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-oxo-4,5-dihydro-3H-pyridine-4-carboxylic acid
PubChem CID57357094
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-ethyl-6-oxo-4,5-dihydro-3H-pyridine-4-carboxylic acid
SMILESCCC1=NC(=O)CC(C(=O)O)C1
InChIInChI=1S/C8H11NO3/c1-2-6-3-5(8(11)12)4-7(10)9-6/h5H,2-4H2,1H3,(H,11,12)
InChIKeyRXPUZTIYHQTNEM-UHFFFAOYSA-N
XLogP0.86
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 118689658
3,3-dimethyl-4-oxocyclopentane-1-carboxylic acid
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CID 124706942
3-oxocyclopentane-1-carboxylic acid
CID 175785263
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
1-(2-methylpentan-3-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 61469101
3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid
CID 115024064
3,3-dihydroxy-5-oxocyclohexane-1-carboxylic acid
CID 66728249
3-methyl-5-oxocyclohex-3-ene-1-carboxylic acid
CID 13053305
4-(1-hydroxy-2-methylpropylidene)-3,5-dioxocyclohexane-1-carboxylic acid
CID 14371511
5-(2-methylbutan-2-yl)cyclohexane-1,3-dicarboxylic acid
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1-[2-[cyclopropyl(ethyl)amino]ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 107574117

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-oxo-4,5-dihydro-3H-pyridine-4-carboxylic acid?
The IUPAC name of 2-ethyl-6-oxo-4,5-dihydro-3H-pyridine-4-carboxylic acid (CID 57357094) is 2-ethyl-6-oxo-4,5-dihydro-3H-pyridine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-oxo-4,5-dihydro-3H-pyridine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-6-oxo-4,5-dihydro-3H-pyridine-4-carboxylic acid is CCC1=NC(=O)CC(C(=O)O)C1.
What is the InChIKey of 2-ethyl-6-oxo-4,5-dihydro-3H-pyridine-4-carboxylic acid?
The InChIKey is RXPUZTIYHQTNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-6-3-5(8(11)12)4-7(10)9-6/h5H,2-4H2,1H3,(H,11,12).
What are the key properties of 2-ethyl-6-oxo-4,5-dihydro-3H-pyridine-4-carboxylic acid?
2-ethyl-6-oxo-4,5-dihydro-3H-pyridine-4-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-oxo-4,5-dihydro-3H-pyridine-4-carboxylic acid is sourced from PubChem (CID 57357094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).