4-[5-(3,5-dichloro-4-methylphenyl)-6-fluoro-2-pyridinyl]morpholine

C16H15Cl2FN2O — CID 143568149

IUPAC4-[5-(3,5-dichloro-4-methylphenyl)-6-fluoro-2-pyridinyl]morpholine
SMILESCc1c(Cl)cc(-c2ccc(N3CCOCC3)nc2F)cc1Cl
InChIInChI=1S/C16H15Cl2FN2O/c1-10-13(17)8-11(9-14(10)18)12-2-3-15(20-16(12)19)21-4-6-22-7-5-21/h2-3,8-9H,4-7H2,1H3
InChIKeyRSNDVLCBLJFGDL-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.34
Rot. Bonds2

About 4-[5-(3,5-dichloro-4-methylphenyl)-6-fluoro-2-pyridinyl]morpholine

4-[5-(3,5-dichloro-4-methylphenyl)-6-fluoro-2-pyridinyl]morpholine (PubChem CID 143568149) has the molecular formula C16H15Cl2FN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is 4-[5-(3,5-dichloro-4-methylphenyl)-6-fluoro-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-(3,5-dichloro-4-methylphenyl)-6-fluoro-2-pyridinyl]morpholine
PubChem CID143568149
Molecular FormulaC16H15Cl2FN2O
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC Name4-[5-(3,5-dichloro-4-methylphenyl)-6-fluoro-2-pyridinyl]morpholine
SMILESCc1c(Cl)cc(-c2ccc(N3CCOCC3)nc2F)cc1Cl
InChIInChI=1S/C16H15Cl2FN2O/c1-10-13(17)8-11(9-14(10)18)12-2-3-15(20-16(12)19)21-4-6-22-7-5-21/h2-3,8-9H,4-7H2,1H3
InChIKeyRSNDVLCBLJFGDL-UHFFFAOYSA-N
XLogP4.34
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3,5-dichloro-4-methylphenyl)-6-fluoro-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-(3,5-dichloro-4-methylphenyl)-6-fluoro-2-pyridinyl]morpholine (CID 143568149) is 4-[5-(3,5-dichloro-4-methylphenyl)-6-fluoro-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-(3,5-dichloro-4-methylphenyl)-6-fluoro-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-(3,5-dichloro-4-methylphenyl)-6-fluoro-2-pyridinyl]morpholine is Cc1c(Cl)cc(-c2ccc(N3CCOCC3)nc2F)cc1Cl.
What is the InChIKey of 4-[5-(3,5-dichloro-4-methylphenyl)-6-fluoro-2-pyridinyl]morpholine?
The InChIKey is RSNDVLCBLJFGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN2O/c1-10-13(17)8-11(9-14(10)18)12-2-3-15(20-16(12)19)21-4-6-22-7-5-21/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 4-[5-(3,5-dichloro-4-methylphenyl)-6-fluoro-2-pyridinyl]morpholine?
4-[5-(3,5-dichloro-4-methylphenyl)-6-fluoro-2-pyridinyl]morpholine has a molecular weight of 341.21 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,5-dichloro-4-methylphenyl)-6-fluoro-2-pyridinyl]morpholine is sourced from PubChem (CID 143568149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).