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

C12H16N2O4 — CID 81203700

IUPAC[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone
SMILESCC1COC(CO)CN1C(=O)c1cncc(O)c1
InChIInChI=1S/C12H16N2O4/c1-8-7-18-11(6-15)5-14(8)12(17)9-2-10(16)4-13-3-9/h2-4,8,11,15-16H,5-7H2,1H3
InChIKeyCHTKOMYWTXVYEF-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.01
Rot. Bonds2

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

[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone (PubChem CID 81203700) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone
PubChem CID81203700
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone
SMILESCC1COC(CO)CN1C(=O)c1cncc(O)c1
InChIInChI=1S/C12H16N2O4/c1-8-7-18-11(6-15)5-14(8)12(17)9-2-10(16)4-13-3-9/h2-4,8,11,15-16H,5-7H2,1H3
InChIKeyCHTKOMYWTXVYEF-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

(3,5-dibromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 103909324
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 81202743
(6-amino-3-pyridinyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81212789
(2,5-dihydroxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 107723418
[2-(hydroxymethyl)morpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 81203428
(3-bromo-5-methylphenyl)-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 99606476
[2-(chloromethyl)-5-methylmorpholin-4-yl]-pyridin-3-ylmethanone
CID 81211730
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-hydroxyphenyl)methanone
CID 81212380
[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-isoquinolin-4-ylmethanone
CID 97250578
(3,5-dichloro-4-methoxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208657
[2-chloro-6-(methylamino)-4-pyridinyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81213227
5-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 81197548

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone?
The IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone (CID 81203700) is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone is CC1COC(CO)CN1C(=O)c1cncc(O)c1.
What is the InChIKey of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone?
The InChIKey is CHTKOMYWTXVYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8-7-18-11(6-15)5-14(8)12(17)9-2-10(16)4-13-3-9/h2-4,8,11,15-16H,5-7H2,1H3.
What are the key properties of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone?
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-hydroxy-3-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]-(5-hydroxy-3-pyridinyl)methanone is sourced from PubChem (CID 81203700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).