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

C10H11Cl2FN2O — CID 146425110

IUPAC4-[(2,6-dichloro-3-fluoro-4-pyridinyl)methyl]morpholine
SMILESFc1c(CN2CCOCC2)cc(Cl)nc1Cl
InChIInChI=1S/C10H11Cl2FN2O/c11-8-5-7(9(13)10(12)14-8)6-15-1-3-16-4-2-15/h5H,1-4,6H2
InChIKeyAFNDZPDDTHHDLU-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.36
Rot. Bonds2

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

4-[(2,6-dichloro-3-fluoro-4-pyridinyl)methyl]morpholine (PubChem CID 146425110) has the molecular formula C10H11Cl2FN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 4-[(2,6-dichloro-3-fluoro-4-pyridinyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2,6-dichloro-3-fluoro-4-pyridinyl)methyl]morpholine
PubChem CID146425110
Molecular FormulaC10H11Cl2FN2O
Molecular Weight265.11 g/mol
Exact Mass264.02
IUPAC Name4-[(2,6-dichloro-3-fluoro-4-pyridinyl)methyl]morpholine
SMILESFc1c(CN2CCOCC2)cc(Cl)nc1Cl
InChIInChI=1S/C10H11Cl2FN2O/c11-8-5-7(9(13)10(12)14-8)6-15-1-3-16-4-2-15/h5H,1-4,6H2
InChIKeyAFNDZPDDTHHDLU-UHFFFAOYSA-N
XLogP2.36
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.36
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-[(2,6-dichloro-3-fluoro-4-pyridinyl)methyl]morpholine?
The IUPAC name of 4-[(2,6-dichloro-3-fluoro-4-pyridinyl)methyl]morpholine (CID 146425110) is 4-[(2,6-dichloro-3-fluoro-4-pyridinyl)methyl]morpholine.
What is the SMILES notation for 4-[(2,6-dichloro-3-fluoro-4-pyridinyl)methyl]morpholine?
The canonical SMILES for 4-[(2,6-dichloro-3-fluoro-4-pyridinyl)methyl]morpholine is Fc1c(CN2CCOCC2)cc(Cl)nc1Cl.
What is the InChIKey of 4-[(2,6-dichloro-3-fluoro-4-pyridinyl)methyl]morpholine?
The InChIKey is AFNDZPDDTHHDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2FN2O/c11-8-5-7(9(13)10(12)14-8)6-15-1-3-16-4-2-15/h5H,1-4,6H2.
What are the key properties of 4-[(2,6-dichloro-3-fluoro-4-pyridinyl)methyl]morpholine?
4-[(2,6-dichloro-3-fluoro-4-pyridinyl)methyl]morpholine has a molecular weight of 265.11 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichloro-3-fluoro-4-pyridinyl)methyl]morpholine is sourced from PubChem (CID 146425110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).