[2-(chloromethyl)-5-methylmorpholin-4-yl]-pyridin-3-ylmethanone

C12H15ClN2O2 — CID 81211730

IUPAC[2-(chloromethyl)-5-methylmorpholin-4-yl]-pyridin-3-ylmethanone
SMILESCC1COC(CCl)CN1C(=O)c1cccnc1
InChIInChI=1S/C12H15ClN2O2/c1-9-8-17-11(5-13)7-15(9)12(16)10-3-2-4-14-6-10/h2-4,6,9,11H,5,7-8H2,1H3
InChIKeyMWYQDMSHTVLGNI-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.55
Rot. Bonds2

About [2-(chloromethyl)-5-methylmorpholin-4-yl]-pyridin-3-ylmethanone

[2-(chloromethyl)-5-methylmorpholin-4-yl]-pyridin-3-ylmethanone (PubChem CID 81211730) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is [2-(chloromethyl)-5-methylmorpholin-4-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-(chloromethyl)-5-methylmorpholin-4-yl]-pyridin-3-ylmethanone
PubChem CID81211730
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name[2-(chloromethyl)-5-methylmorpholin-4-yl]-pyridin-3-ylmethanone
SMILESCC1COC(CCl)CN1C(=O)c1cccnc1
InChIInChI=1S/C12H15ClN2O2/c1-9-8-17-11(5-13)7-15(9)12(16)10-3-2-4-14-6-10/h2-4,6,9,11H,5,7-8H2,1H3
InChIKeyMWYQDMSHTVLGNI-UHFFFAOYSA-N
XLogP1.55
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(chloromethyl)-5-methylmorpholin-4-yl]-pyridin-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone
CID 110727642
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-fluorophenyl)methanone
CID 81211311
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-3-yl)methanone
CID 81212545
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2-hydroxyphenyl)methanone
CID 81211637
[2-(chloromethyl)-5-methylmorpholin-4-yl]-quinolin-8-ylmethanone
CID 81213690
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 107672999
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-2-yl)methanone
CID 81212054
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 81203700
[3-(chloromethyl)phenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81203352
(2-bromo-3-methylphenyl)-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone
CID 114024064
(3-bromo-5-fluorophenyl)-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone
CID 81211638
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone
CID 81213777

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-5-methylmorpholin-4-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-(chloromethyl)-5-methylmorpholin-4-yl]-pyridin-3-ylmethanone (CID 81211730) is [2-(chloromethyl)-5-methylmorpholin-4-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-(chloromethyl)-5-methylmorpholin-4-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-(chloromethyl)-5-methylmorpholin-4-yl]-pyridin-3-ylmethanone is CC1COC(CCl)CN1C(=O)c1cccnc1.
What is the InChIKey of [2-(chloromethyl)-5-methylmorpholin-4-yl]-pyridin-3-ylmethanone?
The InChIKey is MWYQDMSHTVLGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-9-8-17-11(5-13)7-15(9)12(16)10-3-2-4-14-6-10/h2-4,6,9,11H,5,7-8H2,1H3.
What are the key properties of [2-(chloromethyl)-5-methylmorpholin-4-yl]-pyridin-3-ylmethanone?
[2-(chloromethyl)-5-methylmorpholin-4-yl]-pyridin-3-ylmethanone has a molecular weight of 254.72 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-5-methylmorpholin-4-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 81211730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).