4-[5-chloro-3,6-difluoro-4-(4-methoxyphenoxy)-2-pyridinyl]morpholine

C16H15ClF2N2O3 — CID 1353718

IUPAC4-[5-chloro-3,6-difluoro-4-(4-methoxyphenoxy)-2-pyridinyl]morpholine
SMILESCOc1ccc(Oc2c(F)c(N3CCOCC3)nc(F)c2Cl)cc1
InChIInChI=1S/C16H15ClF2N2O3/c1-22-10-2-4-11(5-3-10)24-14-12(17)15(19)20-16(13(14)18)21-6-8-23-9-7-21/h2-5H,6-9H2,1H3
InChIKeyANYCTUZMCGINEG-UHFFFAOYSA-N
MW356.76 g/mol
LogP3.65
Rot. Bonds4

About 4-[5-chloro-3,6-difluoro-4-(4-methoxyphenoxy)-2-pyridinyl]morpholine

4-[5-chloro-3,6-difluoro-4-(4-methoxyphenoxy)-2-pyridinyl]morpholine (PubChem CID 1353718) has the molecular formula C16H15ClF2N2O3 and a molecular weight of 356.76 g/mol. Its IUPAC name is 4-[5-chloro-3,6-difluoro-4-(4-methoxyphenoxy)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-chloro-3,6-difluoro-4-(4-methoxyphenoxy)-2-pyridinyl]morpholine
PubChem CID1353718
Molecular FormulaC16H15ClF2N2O3
Molecular Weight356.76 g/mol
Exact Mass356.07
IUPAC Name4-[5-chloro-3,6-difluoro-4-(4-methoxyphenoxy)-2-pyridinyl]morpholine
SMILESCOc1ccc(Oc2c(F)c(N3CCOCC3)nc(F)c2Cl)cc1
InChIInChI=1S/C16H15ClF2N2O3/c1-22-10-2-4-11(5-3-10)24-14-12(17)15(19)20-16(13(14)18)21-6-8-23-9-7-21/h2-5H,6-9H2,1H3
InChIKeyANYCTUZMCGINEG-UHFFFAOYSA-N
XLogP3.65
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.76
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-3,6-difluoro-4-(4-methoxyphenoxy)-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-chloro-3,6-difluoro-4-(4-methoxyphenoxy)-2-pyridinyl]morpholine (CID 1353718) is 4-[5-chloro-3,6-difluoro-4-(4-methoxyphenoxy)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-chloro-3,6-difluoro-4-(4-methoxyphenoxy)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-chloro-3,6-difluoro-4-(4-methoxyphenoxy)-2-pyridinyl]morpholine is COc1ccc(Oc2c(F)c(N3CCOCC3)nc(F)c2Cl)cc1.
What is the InChIKey of 4-[5-chloro-3,6-difluoro-4-(4-methoxyphenoxy)-2-pyridinyl]morpholine?
The InChIKey is ANYCTUZMCGINEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O3/c1-22-10-2-4-11(5-3-10)24-14-12(17)15(19)20-16(13(14)18)21-6-8-23-9-7-21/h2-5H,6-9H2,1H3.
What are the key properties of 4-[5-chloro-3,6-difluoro-4-(4-methoxyphenoxy)-2-pyridinyl]morpholine?
4-[5-chloro-3,6-difluoro-4-(4-methoxyphenoxy)-2-pyridinyl]morpholine has a molecular weight of 356.76 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-3,6-difluoro-4-(4-methoxyphenoxy)-2-pyridinyl]morpholine is sourced from PubChem (CID 1353718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).