6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid

C12H16N2O3 — CID 43593037

IUPAC6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
SMILESCC1(C)CN(c2ccc(C(=O)O)cn2)CCO1
InChIInChI=1S/C12H16N2O3/c1-12(2)8-14(5-6-17-12)10-4-3-9(7-13-10)11(15)16/h3-4,7H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyQBIDSUXICIDNTC-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.39
Rot. Bonds2

About 6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid

6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid (PubChem CID 43593037) 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-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
PubChem CID43593037
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
SMILESCC1(C)CN(c2ccc(C(=O)O)cn2)CCO1
InChIInChI=1S/C12H16N2O3/c1-12(2)8-14(5-6-17-12)10-4-3-9(7-13-10)11(15)16/h3-4,7H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyQBIDSUXICIDNTC-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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Related Compounds

4-(5-bromo-2-pyridinyl)-2,2-dimethylmorpholine
CID 61375097
6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 103356410
5-chloro-6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 43593034
6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid
CID 121200824
6-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxylic acid
CID 62239023
6-(2,2-dimethylmorpholin-4-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 56756600
6-[3-methyl-3-(4-methylphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 166359477
6-(2,2-dimethylmorpholin-4-yl)-5-nitropyridine-3-carboxylic acid
CID 81438643
4-(5-chloropyrazin-2-yl)-2,2-dimethylmorpholine
CID 130792525
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
6-(4-formylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 82116544

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid (CID 43593037) is 6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid is CC1(C)CN(c2ccc(C(=O)O)cn2)CCO1.
What is the InChIKey of 6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid?
The InChIKey is QBIDSUXICIDNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-12(2)8-14(5-6-17-12)10-4-3-9(7-13-10)11(15)16/h3-4,7H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of 6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid?
6-(2,2-dimethylmorpholin-4-yl)pyridine-3-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-3-carboxylic acid is sourced from PubChem (CID 43593037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).