1-(4-ethylcyclohexyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid

C14H19NO4 — CID 114207452

IUPAC1-(4-ethylcyclohexyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid
SMILESCCC1CCC(n2c(C(=O)O)cc(O)cc2=O)CC1
InChIInChI=1S/C14H19NO4/c1-2-9-3-5-10(6-4-9)15-12(14(18)19)7-11(16)8-13(15)17/h7-10,16H,2-6H2,1H3,(H,18,19)
InChIKeyFAFAMEDUWVIWSR-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.39
Rot. Bonds3

About 1-(4-ethylcyclohexyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid

1-(4-ethylcyclohexyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid (PubChem CID 114207452) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid
PubChem CID114207452
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name1-(4-ethylcyclohexyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid
SMILESCCC1CCC(n2c(C(=O)O)cc(O)cc2=O)CC1
InChIInChI=1S/C14H19NO4/c1-2-9-3-5-10(6-4-9)15-12(14(18)19)7-11(16)8-13(15)17/h7-10,16H,2-6H2,1H3,(H,18,19)
InChIKeyFAFAMEDUWVIWSR-UHFFFAOYSA-N
XLogP2.39
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 1-(4-ethylcyclohexyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid (CID 114207452) is 1-(4-ethylcyclohexyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 1-(4-ethylcyclohexyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid is CCC1CCC(n2c(C(=O)O)cc(O)cc2=O)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid?
The InChIKey is FAFAMEDUWVIWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-2-9-3-5-10(6-4-9)15-12(14(18)19)7-11(16)8-13(15)17/h7-10,16H,2-6H2,1H3,(H,18,19).
What are the key properties of 1-(4-ethylcyclohexyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid?
1-(4-ethylcyclohexyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114207452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).