2-(chloromethyl)-4-(5-chloro-2-pyridinyl)-5-methylmorpholine

C11H14Cl2N2O — CID 81209758

IUPAC2-(chloromethyl)-4-(5-chloro-2-pyridinyl)-5-methylmorpholine
SMILESCC1COC(CCl)CN1c1ccc(Cl)cn1
InChIInChI=1S/C11H14Cl2N2O/c1-8-7-16-10(4-12)6-15(8)11-3-2-9(13)5-14-11/h2-3,5,8,10H,4,6-7H2,1H3
InChIKeyNWZSJUXATMFEKB-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.57
Rot. Bonds2

About 2-(chloromethyl)-4-(5-chloro-2-pyridinyl)-5-methylmorpholine

2-(chloromethyl)-4-(5-chloro-2-pyridinyl)-5-methylmorpholine (PubChem CID 81209758) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(5-chloro-2-pyridinyl)-5-methylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(5-chloro-2-pyridinyl)-5-methylmorpholine
PubChem CID81209758
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name2-(chloromethyl)-4-(5-chloro-2-pyridinyl)-5-methylmorpholine
SMILESCC1COC(CCl)CN1c1ccc(Cl)cn1
InChIInChI=1S/C11H14Cl2N2O/c1-8-7-16-10(4-12)6-15(8)11-3-2-9(13)5-14-11/h2-3,5,8,10H,4,6-7H2,1H3
InChIKeyNWZSJUXATMFEKB-UHFFFAOYSA-N
XLogP2.57
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(5-chloro-2-pyridinyl)-5-methylmorpholine?
The IUPAC name of 2-(chloromethyl)-4-(5-chloro-2-pyridinyl)-5-methylmorpholine (CID 81209758) is 2-(chloromethyl)-4-(5-chloro-2-pyridinyl)-5-methylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(5-chloro-2-pyridinyl)-5-methylmorpholine?
The canonical SMILES for 2-(chloromethyl)-4-(5-chloro-2-pyridinyl)-5-methylmorpholine is CC1COC(CCl)CN1c1ccc(Cl)cn1.
What is the InChIKey of 2-(chloromethyl)-4-(5-chloro-2-pyridinyl)-5-methylmorpholine?
The InChIKey is NWZSJUXATMFEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c1-8-7-16-10(4-12)6-15(8)11-3-2-9(13)5-14-11/h2-3,5,8,10H,4,6-7H2,1H3.
What are the key properties of 2-(chloromethyl)-4-(5-chloro-2-pyridinyl)-5-methylmorpholine?
2-(chloromethyl)-4-(5-chloro-2-pyridinyl)-5-methylmorpholine has a molecular weight of 261.15 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(5-chloro-2-pyridinyl)-5-methylmorpholine is sourced from PubChem (CID 81209758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).