6-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxylic acid

C12H16N2O3 — CID 62239023

IUPAC6-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxylic acid
SMILESCC1(C)CN(c2cccc(C(=O)O)n2)CCO1
InChIInChI=1S/C12H16N2O3/c1-12(2)8-14(6-7-17-12)10-5-3-4-9(13-10)11(15)16/h3-5H,6-8H2,1-2H3,(H,15,16)
InChIKeyFNBGMZUGGGRKST-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.39
Rot. Bonds2

About 6-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxylic acid

6-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxylic acid (PubChem CID 62239023) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxylic acid
PubChem CID62239023
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxylic acid
SMILESCC1(C)CN(c2cccc(C(=O)O)n2)CCO1
InChIInChI=1S/C12H16N2O3/c1-12(2)8-14(6-7-17-12)10-5-3-4-9(13-10)11(15)16/h3-5H,6-8H2,1-2H3,(H,15,16)
InChIKeyFNBGMZUGGGRKST-UHFFFAOYSA-N
XLogP1.39
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxylic acid (CID 62239023) is 6-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxylic acid is CC1(C)CN(c2cccc(C(=O)O)n2)CCO1.
What is the InChIKey of 6-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxylic acid?
The InChIKey is FNBGMZUGGGRKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-12(2)8-14(6-7-17-12)10-5-3-4-9(13-10)11(15)16/h3-5H,6-8H2,1-2H3,(H,15,16).
What are the key properties of 6-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxylic acid?
6-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 62239023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).