[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-2-pyridinyl)methanone

C12H16N2O4 — CID 81203609

IUPAC[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-2-pyridinyl)methanone
SMILESCC1COC(CO)CN1C(=O)c1ncccc1O
InChIInChI=1S/C12H16N2O4/c1-8-7-18-9(6-15)5-14(8)12(17)11-10(16)3-2-4-13-11/h2-4,8-9,15-16H,5-7H2,1H3
InChIKeyZQQMZROYMRKZGD-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.01
Rot. Bonds2

About [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-2-pyridinyl)methanone

[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-2-pyridinyl)methanone (PubChem CID 81203609) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-2-pyridinyl)methanone
PubChem CID81203609
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-2-pyridinyl)methanone
SMILESCC1COC(CO)CN1C(=O)c1ncccc1O
InChIInChI=1S/C12H16N2O4/c1-8-7-18-9(6-15)5-14(8)12(17)11-10(16)3-2-4-13-11/h2-4,8-9,15-16H,5-7H2,1H3
InChIKeyZQQMZROYMRKZGD-UHFFFAOYSA-N
XLogP0.01
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromo-2-pyridinyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81203507
[2-(bromomethyl)-5-methylmorpholin-4-yl]-isoquinolin-1-ylmethanone
CID 81214033
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 81219563
(2,5-dihydroxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 107723418
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(6-methyl-2-pyridinyl)methanone
CID 81208343
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 81208164
(6-amino-3-pyridinyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81212789
1,3-benzothiazol-6-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208144
(4-amino-1,2,5-oxadiazol-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81203292
[2-(bromomethyl)-5-methylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone
CID 107691054
(3,5-dibromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 103909324
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 81203700

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-2-pyridinyl)methanone?
The IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-2-pyridinyl)methanone (CID 81203609) is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-2-pyridinyl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-2-pyridinyl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-2-pyridinyl)methanone is CC1COC(CO)CN1C(=O)c1ncccc1O.
What is the InChIKey of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-2-pyridinyl)methanone?
The InChIKey is ZQQMZROYMRKZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8-7-18-9(6-15)5-14(8)12(17)11-10(16)3-2-4-13-11/h2-4,8-9,15-16H,5-7H2,1H3.
What are the key properties of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-2-pyridinyl)methanone?
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-2-pyridinyl)methanone has a molecular weight of 252.27 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-2-pyridinyl)methanone is sourced from PubChem (CID 81203609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).