1-(2,2-dimethylcyclohexyl)-6-oxopyridine-3-carboxylic acid

C14H19NO3 — CID 79878468

IUPAC1-(2,2-dimethylcyclohexyl)-6-oxopyridine-3-carboxylic acid
SMILESCC1(C)CCCCC1n1cc(C(=O)O)ccc1=O
InChIInChI=1S/C14H19NO3/c1-14(2)8-4-3-5-11(14)15-9-10(13(17)18)6-7-12(15)16/h6-7,9,11H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyNYXPEJXPUMQBEB-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.69
Rot. Bonds2

About 1-(2,2-dimethylcyclohexyl)-6-oxopyridine-3-carboxylic acid

1-(2,2-dimethylcyclohexyl)-6-oxopyridine-3-carboxylic acid (PubChem CID 79878468) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-6-oxopyridine-3-carboxylic acid
PubChem CID79878468
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-(2,2-dimethylcyclohexyl)-6-oxopyridine-3-carboxylic acid
SMILESCC1(C)CCCCC1n1cc(C(=O)O)ccc1=O
InChIInChI=1S/C14H19NO3/c1-14(2)8-4-3-5-11(14)15-9-10(13(17)18)6-7-12(15)16/h6-7,9,11H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyNYXPEJXPUMQBEB-UHFFFAOYSA-N
XLogP2.69
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-6-oxopyridine-3-carboxylic acid (CID 79878468) is 1-(2,2-dimethylcyclohexyl)-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-6-oxopyridine-3-carboxylic acid is CC1(C)CCCCC1n1cc(C(=O)O)ccc1=O.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-6-oxopyridine-3-carboxylic acid?
The InChIKey is NYXPEJXPUMQBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2)8-4-3-5-11(14)15-9-10(13(17)18)6-7-12(15)16/h6-7,9,11H,3-5,8H2,1-2H3,(H,17,18).
What are the key properties of 1-(2,2-dimethylcyclohexyl)-6-oxopyridine-3-carboxylic acid?
1-(2,2-dimethylcyclohexyl)-6-oxopyridine-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 79878468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).