2-(chloromethyl)-4-(3-methoxy-2-pyridinyl)-6-methylmorpholine

C12H17ClN2O2 — CID 102937094

IUPAC2-(chloromethyl)-4-(3-methoxy-2-pyridinyl)-6-methylmorpholine
SMILESCOc1cccnc1N1CC(C)OC(CCl)C1
InChIInChI=1S/C12H17ClN2O2/c1-9-7-15(8-10(6-13)17-9)12-11(16-2)4-3-5-14-12/h3-5,9-10H,6-8H2,1-2H3
InChIKeyHCVQIVADIXZTMW-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.92
Rot. Bonds3

About 2-(chloromethyl)-4-(3-methoxy-2-pyridinyl)-6-methylmorpholine

2-(chloromethyl)-4-(3-methoxy-2-pyridinyl)-6-methylmorpholine (PubChem CID 102937094) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(3-methoxy-2-pyridinyl)-6-methylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(3-methoxy-2-pyridinyl)-6-methylmorpholine
PubChem CID102937094
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-(chloromethyl)-4-(3-methoxy-2-pyridinyl)-6-methylmorpholine
SMILESCOc1cccnc1N1CC(C)OC(CCl)C1
InChIInChI=1S/C12H17ClN2O2/c1-9-7-15(8-10(6-13)17-9)12-11(16-2)4-3-5-14-12/h3-5,9-10H,6-8H2,1-2H3
InChIKeyHCVQIVADIXZTMW-UHFFFAOYSA-N
XLogP1.92
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-chloro-2-methoxypyrimidin-4-yl)-2-(chloromethyl)-6-methylmorpholine
CID 102937046
2-(chloromethyl)-6-methyl-4-pyridin-4-ylmorpholine
CID 102937003
2-(chloromethyl)-6-methyl-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine
CID 102937075
3-methoxy-2-(4-methylpiperidin-1-yl)pyridine
CID 155975394
2-(chloromethyl)-4-(4-methoxy-6-methylpyrimidin-2-yl)-6-methylmorpholine
CID 102937027
4-(5-bromo-3-chloro-2-pyridinyl)-2-(chloromethyl)-6-methylmorpholine
CID 103584209
2-(bromomethyl)-6-methyl-4-(3-methylpyrazin-2-yl)morpholine
CID 102937224
[4-(3-aminopyrazin-2-yl)-6-methylmorpholin-2-yl]methanol
CID 102976001
(2R,6S)-4-(8-methoxyquinolin-5-yl)-2,6-dimethylmorpholine
CID 118006697
6-(chloromethyl)-2,2-dimethyl-4-(3-methyl-2-pyridinyl)morpholine
CID 114780916
[4-(2-amino-3-pyridinyl)-6-methylmorpholin-2-yl]methanol
CID 102932034
2-(3,3-difluoroazetidin-1-yl)-3-methoxypyridine
CID 175648008

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(3-methoxy-2-pyridinyl)-6-methylmorpholine?
The IUPAC name of 2-(chloromethyl)-4-(3-methoxy-2-pyridinyl)-6-methylmorpholine (CID 102937094) is 2-(chloromethyl)-4-(3-methoxy-2-pyridinyl)-6-methylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(3-methoxy-2-pyridinyl)-6-methylmorpholine?
The canonical SMILES for 2-(chloromethyl)-4-(3-methoxy-2-pyridinyl)-6-methylmorpholine is COc1cccnc1N1CC(C)OC(CCl)C1.
What is the InChIKey of 2-(chloromethyl)-4-(3-methoxy-2-pyridinyl)-6-methylmorpholine?
The InChIKey is HCVQIVADIXZTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-9-7-15(8-10(6-13)17-9)12-11(16-2)4-3-5-14-12/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of 2-(chloromethyl)-4-(3-methoxy-2-pyridinyl)-6-methylmorpholine?
2-(chloromethyl)-4-(3-methoxy-2-pyridinyl)-6-methylmorpholine has a molecular weight of 256.73 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(3-methoxy-2-pyridinyl)-6-methylmorpholine is sourced from PubChem (CID 102937094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).