5-chloro-2-[[6-[2-[1-fluoro-2-(4-fluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine

C20H15ClF2N2O2 — CID 118431508

IUPAC5-chloro-2-[[6-[2-[1-fluoro-2-(4-fluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine
SMILESFc1ccc(CC(F)C2(c3ccc(Oc4ccc(Cl)cn4)cn3)CO2)cc1
InChIInChI=1S/C20H15ClF2N2O2/c21-14-3-8-19(25-10-14)27-16-6-7-18(24-11-16)20(12-26-20)17(23)9-13-1-4-15(22)5-2-13/h1-8,10-11,17H,9,12H2
InChIKeyXSCYZQDLNCKYGR-UHFFFAOYSA-N
MW388.80 g/mol
LogP4.87
Rot. Bonds6

About 5-chloro-2-[[6-[2-[1-fluoro-2-(4-fluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine

5-chloro-2-[[6-[2-[1-fluoro-2-(4-fluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine (PubChem CID 118431508) has the molecular formula C20H15ClF2N2O2 and a molecular weight of 388.80 g/mol. Its IUPAC name is 5-chloro-2-[[6-[2-[1-fluoro-2-(4-fluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine.

Molecular Properties

Compound Name5-chloro-2-[[6-[2-[1-fluoro-2-(4-fluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine
PubChem CID118431508
Molecular FormulaC20H15ClF2N2O2
Molecular Weight388.80 g/mol
Exact Mass388.08
IUPAC Name5-chloro-2-[[6-[2-[1-fluoro-2-(4-fluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine
SMILESFc1ccc(CC(F)C2(c3ccc(Oc4ccc(Cl)cn4)cn3)CO2)cc1
InChIInChI=1S/C20H15ClF2N2O2/c21-14-3-8-19(25-10-14)27-16-6-7-18(24-11-16)20(12-26-20)17(23)9-13-1-4-15(22)5-2-13/h1-8,10-11,17H,9,12H2
InChIKeyXSCYZQDLNCKYGR-UHFFFAOYSA-N
XLogP4.87
TPSA47.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.80
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

US10155760, Example 238
CID 118419882
US10155760, Example 147
CID 118429884
3-Chloro-5-(3-pyridin-2-ylethynyl-cyclohex-2-enyloxy)-pyridine
CID 44403653
2-(2-Fluorophenyl)-5-[(5-methoxy-3-pyridinyl)methyl]pyridine
CID 145981780
5-(4-chloropyridin-2-yl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
CID 57395279
5-(4-Chloro-phenyl)-2-[5-(2-pyrrolidin-1-yl-ethoxy)-pyridin-2-yl-ethynyl]-pyridine
CID 59835871
US10155760, Example 158
CID 118420068
US10155760, Example 240
CID 118420179
US10155760, Example 161
CID 118429749
US10155760, Example 67
CID 118429766
US10155760, Example 143
CID 129279925
(2S)-1-[[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine
CID 44340648

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[6-[2-[1-fluoro-2-(4-fluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine?
The IUPAC name of 5-chloro-2-[[6-[2-[1-fluoro-2-(4-fluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine (CID 118431508) is 5-chloro-2-[[6-[2-[1-fluoro-2-(4-fluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine.
What is the SMILES notation for 5-chloro-2-[[6-[2-[1-fluoro-2-(4-fluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine?
The canonical SMILES for 5-chloro-2-[[6-[2-[1-fluoro-2-(4-fluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine is Fc1ccc(CC(F)C2(c3ccc(Oc4ccc(Cl)cn4)cn3)CO2)cc1.
What is the InChIKey of 5-chloro-2-[[6-[2-[1-fluoro-2-(4-fluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine?
The InChIKey is XSCYZQDLNCKYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N2O2/c21-14-3-8-19(25-10-14)27-16-6-7-18(24-11-16)20(12-26-20)17(23)9-13-1-4-15(22)5-2-13/h1-8,10-11,17H,9,12H2.
What are the key properties of 5-chloro-2-[[6-[2-[1-fluoro-2-(4-fluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine?
5-chloro-2-[[6-[2-[1-fluoro-2-(4-fluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine has a molecular weight of 388.80 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[6-[2-[1-fluoro-2-(4-fluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine is sourced from PubChem (CID 118431508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).