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

C13H18N2O4 — CID 114777180

IUPAC2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid
SMILESCC1(C)CN(c2ncccc2C(=O)O)CC(CO)O1
InChIInChI=1S/C13H18N2O4/c1-13(2)8-15(6-9(7-16)19-13)11-10(12(17)18)4-3-5-14-11/h3-5,9,16H,6-8H2,1-2H3,(H,17,18)
InChIKeyQDIVRNFLKRARNQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.76
Rot. Bonds3

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

2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid (PubChem CID 114777180) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid
PubChem CID114777180
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid
SMILESCC1(C)CN(c2ncccc2C(=O)O)CC(CO)O1
InChIInChI=1S/C13H18N2O4/c1-13(2)8-15(6-9(7-16)19-13)11-10(12(17)18)4-3-5-14-11/h3-5,9,16H,6-8H2,1-2H3,(H,17,18)
InChIKeyQDIVRNFLKRARNQ-UHFFFAOYSA-N
XLogP0.76
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-4-carboxylic acid
CID 105382742
[6,6-dimethyl-4-(3-methylsulfonyl-2-pyridinyl)morpholin-2-yl]methanol
CID 114779341
3-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzoic acid
CID 114777174
6-(chloromethyl)-2,2-dimethyl-4-(3-methyl-2-pyridinyl)morpholine
CID 114780916
2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid
CID 114776496
3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbonitrile
CID 114776876
2-(2-ethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 43420791
3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbothioamide
CID 114776973
2-[(3S,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129497483
2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 79181220
[6,6-dimethyl-4-(6-nitro-3-pyridinyl)morpholin-2-yl]methanol
CID 114779409
2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43403358

Frequently Asked Questions

What is the IUPAC name of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid (CID 114777180) is 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid is CC1(C)CN(c2ncccc2C(=O)O)CC(CO)O1.
What is the InChIKey of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid?
The InChIKey is QDIVRNFLKRARNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-13(2)8-15(6-9(7-16)19-13)11-10(12(17)18)4-3-5-14-11/h3-5,9,16H,6-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid?
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114777180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).