2-[(2-chloro-4-fluorophenoxy)-pyridin-3-ylmethyl]morpholine

C16H16ClFN2O2 — CID 11674199

IUPAC2-[(2-chloro-4-fluorophenoxy)-pyridin-3-ylmethyl]morpholine
SMILESFc1ccc(OC(c2cccnc2)C2CNCCO2)c(Cl)c1
InChIInChI=1S/C16H16ClFN2O2/c17-13-8-12(18)3-4-14(13)22-16(11-2-1-5-19-9-11)15-10-20-6-7-21-15/h1-5,8-9,15-16,20H,6-7,10H2
InChIKeyCGSYCADBYSPBRI-UHFFFAOYSA-N
MW322.77 g/mol
LogP2.98
Rot. Bonds4

About 2-[(2-chloro-4-fluorophenoxy)-pyridin-3-ylmethyl]morpholine

2-[(2-chloro-4-fluorophenoxy)-pyridin-3-ylmethyl]morpholine (PubChem CID 11674199) has the molecular formula C16H16ClFN2O2 and a molecular weight of 322.77 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenoxy)-pyridin-3-ylmethyl]morpholine.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenoxy)-pyridin-3-ylmethyl]morpholine
PubChem CID11674199
Molecular FormulaC16H16ClFN2O2
Molecular Weight322.77 g/mol
Exact Mass322.09
IUPAC Name2-[(2-chloro-4-fluorophenoxy)-pyridin-3-ylmethyl]morpholine
SMILESFc1ccc(OC(c2cccnc2)C2CNCCO2)c(Cl)c1
InChIInChI=1S/C16H16ClFN2O2/c17-13-8-12(18)3-4-14(13)22-16(11-2-1-5-19-9-11)15-10-20-6-7-21-15/h1-5,8-9,15-16,20H,6-7,10H2
InChIKeyCGSYCADBYSPBRI-UHFFFAOYSA-N
XLogP2.98
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenoxy)-pyridin-3-ylmethyl]morpholine?
The IUPAC name of 2-[(2-chloro-4-fluorophenoxy)-pyridin-3-ylmethyl]morpholine (CID 11674199) is 2-[(2-chloro-4-fluorophenoxy)-pyridin-3-ylmethyl]morpholine.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenoxy)-pyridin-3-ylmethyl]morpholine?
The canonical SMILES for 2-[(2-chloro-4-fluorophenoxy)-pyridin-3-ylmethyl]morpholine is Fc1ccc(OC(c2cccnc2)C2CNCCO2)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenoxy)-pyridin-3-ylmethyl]morpholine?
The InChIKey is CGSYCADBYSPBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O2/c17-13-8-12(18)3-4-14(13)22-16(11-2-1-5-19-9-11)15-10-20-6-7-21-15/h1-5,8-9,15-16,20H,6-7,10H2.
What are the key properties of 2-[(2-chloro-4-fluorophenoxy)-pyridin-3-ylmethyl]morpholine?
2-[(2-chloro-4-fluorophenoxy)-pyridin-3-ylmethyl]morpholine has a molecular weight of 322.77 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenoxy)-pyridin-3-ylmethyl]morpholine is sourced from PubChem (CID 11674199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).