[2-(bromomethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone

C11H13BrN2O3 — CID 81443645

IUPAC[2-(bromomethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
SMILESO=C(c1ccncc1O)N1CCOC(CBr)C1
InChIInChI=1S/C11H13BrN2O3/c12-5-8-7-14(3-4-17-8)11(16)9-1-2-13-6-10(9)15/h1-2,6,8,15H,3-5,7H2
InChIKeyJJERVRICEPUBEC-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.02
Rot. Bonds2

About [2-(bromomethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone

[2-(bromomethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone (PubChem CID 81443645) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is [2-(bromomethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(bromomethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
PubChem CID81443645
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name[2-(bromomethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
SMILESO=C(c1ccncc1O)N1CCOC(CBr)C1
InChIInChI=1S/C11H13BrN2O3/c12-5-8-7-14(3-4-17-8)11(16)9-1-2-13-6-10(9)15/h1-2,6,8,15H,3-5,7H2
InChIKeyJJERVRICEPUBEC-UHFFFAOYSA-N
XLogP1.02
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[2-(hydroxymethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81442526
[3-(bromomethyl)azetidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 130531502
[2-(bromomethyl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 102922742
(3-hydroxy-4-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 80707017
[2-(bromomethyl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 81211794
[2-(bromomethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone
CID 81211544
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443611
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 102933129
[2-(bromomethyl)morpholin-4-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 81211072
(3-bromo-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172648043
[2-(bromomethyl)morpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 81212035
[2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone
CID 81211077

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone?
The IUPAC name of [2-(bromomethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone (CID 81443645) is [2-(bromomethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone.
What is the SMILES notation for [2-(bromomethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone?
The canonical SMILES for [2-(bromomethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone is O=C(c1ccncc1O)N1CCOC(CBr)C1.
What is the InChIKey of [2-(bromomethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone?
The InChIKey is JJERVRICEPUBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c12-5-8-7-14(3-4-17-8)11(16)9-1-2-13-6-10(9)15/h1-2,6,8,15H,3-5,7H2.
What are the key properties of [2-(bromomethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone?
[2-(bromomethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone has a molecular weight of 301.14 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone is sourced from PubChem (CID 81443645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).