[4-[(5-bromo-2-pyridinyl)methyl]morpholin-2-yl]methanol

C11H15BrN2O2 — CID 115681312

IUPAC[4-[(5-bromo-2-pyridinyl)methyl]morpholin-2-yl]methanol
SMILESOCC1CN(Cc2ccc(Br)cn2)CCO1
InChIInChI=1S/C11H15BrN2O2/c12-9-1-2-10(13-5-9)6-14-3-4-16-11(7-14)8-15/h1-2,5,11,15H,3-4,6-8H2
InChIKeyCHBYAEHOWUMYTD-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.04
Rot. Bonds3

About [4-[(5-bromo-2-pyridinyl)methyl]morpholin-2-yl]methanol

[4-[(5-bromo-2-pyridinyl)methyl]morpholin-2-yl]methanol (PubChem CID 115681312) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is [4-[(5-bromo-2-pyridinyl)methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(5-bromo-2-pyridinyl)methyl]morpholin-2-yl]methanol
PubChem CID115681312
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name[4-[(5-bromo-2-pyridinyl)methyl]morpholin-2-yl]methanol
SMILESOCC1CN(Cc2ccc(Br)cn2)CCO1
InChIInChI=1S/C11H15BrN2O2/c12-9-1-2-10(13-5-9)6-14-3-4-16-11(7-14)8-15/h1-2,5,11,15H,3-4,6-8H2
InChIKeyCHBYAEHOWUMYTD-UHFFFAOYSA-N
XLogP1.04
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-bromo-2-pyridinyl)methyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[(5-bromo-2-pyridinyl)methyl]morpholin-2-yl]methanol (CID 115681312) is [4-[(5-bromo-2-pyridinyl)methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[(5-bromo-2-pyridinyl)methyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[(5-bromo-2-pyridinyl)methyl]morpholin-2-yl]methanol is OCC1CN(Cc2ccc(Br)cn2)CCO1.
What is the InChIKey of [4-[(5-bromo-2-pyridinyl)methyl]morpholin-2-yl]methanol?
The InChIKey is CHBYAEHOWUMYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c12-9-1-2-10(13-5-9)6-14-3-4-16-11(7-14)8-15/h1-2,5,11,15H,3-4,6-8H2.
What are the key properties of [4-[(5-bromo-2-pyridinyl)methyl]morpholin-2-yl]methanol?
[4-[(5-bromo-2-pyridinyl)methyl]morpholin-2-yl]methanol has a molecular weight of 287.16 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-bromo-2-pyridinyl)methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 115681312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).