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

C17H16Cl2F2N2O2 — CID 1353153

IUPAC4-[5-chloro-4-(4-chloro-2,6-dimethylphenoxy)-3,6-difluoro-2-pyridinyl]morpholine
SMILESCc1cc(Cl)cc(C)c1Oc1c(F)c(N2CCOCC2)nc(F)c1Cl
InChIInChI=1S/C17H16Cl2F2N2O2/c1-9-7-11(18)8-10(2)14(9)25-15-12(19)16(21)22-17(13(15)20)23-3-5-24-6-4-23/h7-8H,3-6H2,1-2H3
InChIKeyYJHJYKWBMNKHPY-UHFFFAOYSA-N
MW389.23 g/mol
LogP4.91
Rot. Bonds3

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

4-[5-chloro-4-(4-chloro-2,6-dimethylphenoxy)-3,6-difluoro-2-pyridinyl]morpholine (PubChem CID 1353153) has the molecular formula C17H16Cl2F2N2O2 and a molecular weight of 389.23 g/mol. Its IUPAC name is 4-[5-chloro-4-(4-chloro-2,6-dimethylphenoxy)-3,6-difluoro-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-chloro-4-(4-chloro-2,6-dimethylphenoxy)-3,6-difluoro-2-pyridinyl]morpholine
PubChem CID1353153
Molecular FormulaC17H16Cl2F2N2O2
Molecular Weight389.23 g/mol
Exact Mass388.06
IUPAC Name4-[5-chloro-4-(4-chloro-2,6-dimethylphenoxy)-3,6-difluoro-2-pyridinyl]morpholine
SMILESCc1cc(Cl)cc(C)c1Oc1c(F)c(N2CCOCC2)nc(F)c1Cl
InChIInChI=1S/C17H16Cl2F2N2O2/c1-9-7-11(18)8-10(2)14(9)25-15-12(19)16(21)22-17(13(15)20)23-3-5-24-6-4-23/h7-8H,3-6H2,1-2H3
InChIKeyYJHJYKWBMNKHPY-UHFFFAOYSA-N
XLogP4.91
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.23
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-4-(4-chloro-2,6-dimethylphenoxy)-3,6-difluoro-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-chloro-4-(4-chloro-2,6-dimethylphenoxy)-3,6-difluoro-2-pyridinyl]morpholine (CID 1353153) is 4-[5-chloro-4-(4-chloro-2,6-dimethylphenoxy)-3,6-difluoro-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-chloro-4-(4-chloro-2,6-dimethylphenoxy)-3,6-difluoro-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-chloro-4-(4-chloro-2,6-dimethylphenoxy)-3,6-difluoro-2-pyridinyl]morpholine is Cc1cc(Cl)cc(C)c1Oc1c(F)c(N2CCOCC2)nc(F)c1Cl.
What is the InChIKey of 4-[5-chloro-4-(4-chloro-2,6-dimethylphenoxy)-3,6-difluoro-2-pyridinyl]morpholine?
The InChIKey is YJHJYKWBMNKHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2F2N2O2/c1-9-7-11(18)8-10(2)14(9)25-15-12(19)16(21)22-17(13(15)20)23-3-5-24-6-4-23/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-[5-chloro-4-(4-chloro-2,6-dimethylphenoxy)-3,6-difluoro-2-pyridinyl]morpholine?
4-[5-chloro-4-(4-chloro-2,6-dimethylphenoxy)-3,6-difluoro-2-pyridinyl]morpholine has a molecular weight of 389.23 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-4-(4-chloro-2,6-dimethylphenoxy)-3,6-difluoro-2-pyridinyl]morpholine is sourced from PubChem (CID 1353153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).