2-(2,4-dichloro-5-fluorophenyl)-4-pyridin-2-ylmorpholine

C15H13Cl2FN2O — CID 133292461

IUPAC2-(2,4-dichloro-5-fluorophenyl)-4-pyridin-2-ylmorpholine
SMILESFc1cc(C2CN(c3ccccn3)CCO2)c(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2FN2O/c16-11-8-12(17)13(18)7-10(11)14-9-20(5-6-21-14)15-3-1-2-4-19-15/h1-4,7-8,14H,5-6,9H2
InChIKeyFGVGIKJSSNFLAE-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.11
Rot. Bonds2

About 2-(2,4-dichloro-5-fluorophenyl)-4-pyridin-2-ylmorpholine

2-(2,4-dichloro-5-fluorophenyl)-4-pyridin-2-ylmorpholine (PubChem CID 133292461) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-fluorophenyl)-4-pyridin-2-ylmorpholine.

Molecular Properties

Compound Name2-(2,4-dichloro-5-fluorophenyl)-4-pyridin-2-ylmorpholine
PubChem CID133292461
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC Name2-(2,4-dichloro-5-fluorophenyl)-4-pyridin-2-ylmorpholine
SMILESFc1cc(C2CN(c3ccccn3)CCO2)c(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2FN2O/c16-11-8-12(17)13(18)7-10(11)14-9-20(5-6-21-14)15-3-1-2-4-19-15/h1-4,7-8,14H,5-6,9H2
InChIKeyFGVGIKJSSNFLAE-UHFFFAOYSA-N
XLogP4.11
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichloro-5-fluorophenyl)-4-(4-methoxypyrimidin-2-yl)morpholine
CID 133292437
5-chloro-4-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-1H-pyridazin-6-one
CID 133292436
(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 95303821
2-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanol;hydrochloride
CID 141261156
(4-chlorophenyl)-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]methanone
CID 155946524
2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine
CID 133294593
4-pyridin-2-ylmorpholine-2-carbonitrile
CID 78946454
(2R)-2-[(2S)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propanamide
CID 99103788
(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3-oxazol-2-yl)methyl]morpholine
CID 124505775
2-(4-ethyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylmorpholine
CID 126807770
4-[(2R)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-ol
CID 95339618
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol;hydrochloride
CID 138959744

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-4-pyridin-2-ylmorpholine?
The IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-4-pyridin-2-ylmorpholine (CID 133292461) is 2-(2,4-dichloro-5-fluorophenyl)-4-pyridin-2-ylmorpholine.
What is the SMILES notation for 2-(2,4-dichloro-5-fluorophenyl)-4-pyridin-2-ylmorpholine?
The canonical SMILES for 2-(2,4-dichloro-5-fluorophenyl)-4-pyridin-2-ylmorpholine is Fc1cc(C2CN(c3ccccn3)CCO2)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloro-5-fluorophenyl)-4-pyridin-2-ylmorpholine?
The InChIKey is FGVGIKJSSNFLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c16-11-8-12(17)13(18)7-10(11)14-9-20(5-6-21-14)15-3-1-2-4-19-15/h1-4,7-8,14H,5-6,9H2.
What are the key properties of 2-(2,4-dichloro-5-fluorophenyl)-4-pyridin-2-ylmorpholine?
2-(2,4-dichloro-5-fluorophenyl)-4-pyridin-2-ylmorpholine has a molecular weight of 327.19 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-5-fluorophenyl)-4-pyridin-2-ylmorpholine is sourced from PubChem (CID 133292461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).