[4-[(5-bromo-3-pyridinyl)methyl]morpholin-2-yl]methanol

C11H15BrN2O2 — CID 115681315

IUPAC[4-[(5-bromo-3-pyridinyl)methyl]morpholin-2-yl]methanol
SMILESOCC1CN(Cc2cncc(Br)c2)CCO1
InChIInChI=1S/C11H15BrN2O2/c12-10-3-9(4-13-5-10)6-14-1-2-16-11(7-14)8-15/h3-5,11,15H,1-2,6-8H2
InChIKeyJOYNIAIKKPKLOU-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.04
Rot. Bonds3

About [4-[(5-bromo-3-pyridinyl)methyl]morpholin-2-yl]methanol

[4-[(5-bromo-3-pyridinyl)methyl]morpholin-2-yl]methanol (PubChem CID 115681315) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is [4-[(5-bromo-3-pyridinyl)methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(5-bromo-3-pyridinyl)methyl]morpholin-2-yl]methanol
PubChem CID115681315
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name[4-[(5-bromo-3-pyridinyl)methyl]morpholin-2-yl]methanol
SMILESOCC1CN(Cc2cncc(Br)c2)CCO1
InChIInChI=1S/C11H15BrN2O2/c12-10-3-9(4-13-5-10)6-14-1-2-16-11(7-14)8-15/h3-5,11,15H,1-2,6-8H2
InChIKeyJOYNIAIKKPKLOU-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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Related Compounds

[4-(pyridin-4-ylmethyl)morpholin-2-yl]methanol
CID 79841050
[4-[(3-bromo-4-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 79833294
[4-[(5-bromo-2-pyridinyl)methyl]morpholin-2-yl]methanol
CID 115681312
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 113235638
N-(2-adamantyl)-4-[(5-bromo-3-pyridinyl)methyl]morpholine-2-carboxamide
CID 66554714
[4-[(5-bromo-3-pyridinyl)sulfonyl]morpholin-2-yl]methanol
CID 81218928
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoic acid
CID 81205300
[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 115741359
1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyrrolidin-3-ol
CID 130770082
[4-[(2-hydrazinyl-4-pyridinyl)methyl]morpholin-2-yl]methanol
CID 81213030

Frequently Asked Questions

What is the IUPAC name of [4-[(5-bromo-3-pyridinyl)methyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[(5-bromo-3-pyridinyl)methyl]morpholin-2-yl]methanol (CID 115681315) is [4-[(5-bromo-3-pyridinyl)methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[(5-bromo-3-pyridinyl)methyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[(5-bromo-3-pyridinyl)methyl]morpholin-2-yl]methanol is OCC1CN(Cc2cncc(Br)c2)CCO1.
What is the InChIKey of [4-[(5-bromo-3-pyridinyl)methyl]morpholin-2-yl]methanol?
The InChIKey is JOYNIAIKKPKLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c12-10-3-9(4-13-5-10)6-14-1-2-16-11(7-14)8-15/h3-5,11,15H,1-2,6-8H2.
What are the key properties of [4-[(5-bromo-3-pyridinyl)methyl]morpholin-2-yl]methanol?
[4-[(5-bromo-3-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-3-pyridinyl)methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 115681315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).