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

C12H15BrN2O3 — CID 81203507

IUPAC(5-bromo-2-pyridinyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CO)CN1C(=O)c1ccc(Br)cn1
InChIInChI=1S/C12H15BrN2O3/c1-8-7-18-10(6-16)5-15(8)12(17)11-3-2-9(13)4-14-11/h2-4,8,10,16H,5-7H2,1H3
InChIKeyBYFJOBUYYMZJLJ-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.07
Rot. Bonds2

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

(5-bromo-2-pyridinyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (PubChem CID 81203507) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
PubChem CID81203507
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name(5-bromo-2-pyridinyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CO)CN1C(=O)c1ccc(Br)cn1
InChIInChI=1S/C12H15BrN2O3/c1-8-7-18-10(6-16)5-15(8)12(17)11-3-2-9(13)4-14-11/h2-4,8,10,16H,5-7H2,1H3
InChIKeyBYFJOBUYYMZJLJ-UHFFFAOYSA-N
XLogP1.07
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The IUPAC name of (5-bromo-2-pyridinyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (CID 81203507) is (5-bromo-2-pyridinyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (5-bromo-2-pyridinyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for (5-bromo-2-pyridinyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is CC1COC(CO)CN1C(=O)c1ccc(Br)cn1.
What is the InChIKey of (5-bromo-2-pyridinyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The InChIKey is BYFJOBUYYMZJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-8-7-18-10(6-16)5-15(8)12(17)11-3-2-9(13)4-14-11/h2-4,8,10,16H,5-7H2,1H3.
What are the key properties of (5-bromo-2-pyridinyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
(5-bromo-2-pyridinyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone has a molecular weight of 315.17 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 81203507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).