4-[5-[5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methyl-3-pyridinyl]-2-pyridinyl]morpholine

C23H22Cl2FN3O2 — CID 69042133

IUPAC4-[5-[5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methyl-3-pyridinyl]-2-pyridinyl]morpholine
SMILESCc1ncc(-c2ccc(N3CCOCC3)nc2)cc1OCCc1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C23H22Cl2FN3O2/c1-15-21(31-9-6-18-19(24)3-4-20(26)23(18)25)12-17(14-27-15)16-2-5-22(28-13-16)29-7-10-30-11-8-29/h2-5,12-14H,6-11H2,1H3
InChIKeyAXHSNJSNIPCVKC-UHFFFAOYSA-N
MW462.35 g/mol
LogP5.36
Rot. Bonds6

About 4-[5-[5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methyl-3-pyridinyl]-2-pyridinyl]morpholine

4-[5-[5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methyl-3-pyridinyl]-2-pyridinyl]morpholine (PubChem CID 69042133) has the molecular formula C23H22Cl2FN3O2 and a molecular weight of 462.35 g/mol. Its IUPAC name is 4-[5-[5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methyl-3-pyridinyl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methyl-3-pyridinyl]-2-pyridinyl]morpholine
PubChem CID69042133
Molecular FormulaC23H22Cl2FN3O2
Molecular Weight462.35 g/mol
Exact Mass461.11
IUPAC Name4-[5-[5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methyl-3-pyridinyl]-2-pyridinyl]morpholine
SMILESCc1ncc(-c2ccc(N3CCOCC3)nc2)cc1OCCc1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C23H22Cl2FN3O2/c1-15-21(31-9-6-18-19(24)3-4-20(26)23(18)25)12-17(14-27-15)16-2-5-22(28-13-16)29-7-10-30-11-8-29/h2-5,12-14H,6-11H2,1H3
InChIKeyAXHSNJSNIPCVKC-UHFFFAOYSA-N
XLogP5.36
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.35
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methyl-3-pyridinyl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methyl-3-pyridinyl]-2-pyridinyl]morpholine (CID 69042133) is 4-[5-[5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methyl-3-pyridinyl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methyl-3-pyridinyl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methyl-3-pyridinyl]-2-pyridinyl]morpholine is Cc1ncc(-c2ccc(N3CCOCC3)nc2)cc1OCCc1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 4-[5-[5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methyl-3-pyridinyl]-2-pyridinyl]morpholine?
The InChIKey is AXHSNJSNIPCVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2FN3O2/c1-15-21(31-9-6-18-19(24)3-4-20(26)23(18)25)12-17(14-27-15)16-2-5-22(28-13-16)29-7-10-30-11-8-29/h2-5,12-14H,6-11H2,1H3.
What are the key properties of 4-[5-[5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methyl-3-pyridinyl]-2-pyridinyl]morpholine?
4-[5-[5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methyl-3-pyridinyl]-2-pyridinyl]morpholine has a molecular weight of 462.35 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methyl-3-pyridinyl]-2-pyridinyl]morpholine is sourced from PubChem (CID 69042133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).