2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-(4-chlorophenoxy)pyridine

C20H14Cl2FNO2 — CID 118431466

IUPAC2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-(4-chlorophenoxy)pyridine
SMILESFc1cc(Cl)ccc1CC1(c2ccc(Oc3ccc(Cl)cc3)cn2)CO1
InChIInChI=1S/C20H14Cl2FNO2/c21-14-3-5-16(6-4-14)26-17-7-8-19(24-11-17)20(12-25-20)10-13-1-2-15(22)9-18(13)23/h1-9,11H,10,12H2
InChIKeyVMEBENUUGVPARE-UHFFFAOYSA-N
MW390.24 g/mol
LogP5.79
Rot. Bonds5

About 2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-(4-chlorophenoxy)pyridine

2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-(4-chlorophenoxy)pyridine (PubChem CID 118431466) has the molecular formula C20H14Cl2FNO2 and a molecular weight of 390.24 g/mol. Its IUPAC name is 2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-(4-chlorophenoxy)pyridine.

Molecular Properties

Compound Name2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-(4-chlorophenoxy)pyridine
PubChem CID118431466
Molecular FormulaC20H14Cl2FNO2
Molecular Weight390.24 g/mol
Exact Mass389.04
IUPAC Name2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-(4-chlorophenoxy)pyridine
SMILESFc1cc(Cl)ccc1CC1(c2ccc(Oc3ccc(Cl)cc3)cn2)CO1
InChIInChI=1S/C20H14Cl2FNO2/c21-14-3-5-16(6-4-14)26-17-7-8-19(24-11-17)20(12-25-20)10-13-1-2-15(22)9-18(13)23/h1-9,11H,10,12H2
InChIKeyVMEBENUUGVPARE-UHFFFAOYSA-N
XLogP5.79
TPSA34.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.24
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-Chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
CID 56679074
(4-Chlorophenyl)-(2-fluoro-4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
CID 57522241
US10155760, Example 156
CID 118429797
1-(4-chlorophenyl)-N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-N-methyl-1-pyridin-2-ylmethanamine
CID 121412889
2-[(4-Chlorophenyl)-[[1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]methoxy]methyl]pyridine
CID 121412943
3-[(2,4-Dichlorophenyl)methoxy]-5-(6-methyl-3-pyridinyl)pyridine
CID 145980904
3-[(2,4-Dichlorophenyl)methoxy]-5-(6-fluoro-3-pyridinyl)pyridine
CID 145993522
3-[2-(4-Chlorophenyl)ethoxy]-1-oxidopyridin-1-ium
CID 172465331
5-((5-Chloropyridin-3-yl)methoxy)-4-(4-fluorophenyl)picolinonitrile
CID 122539648
5-((6-Chloropyridin-3-yl)methoxy)-4-(4-fluorophenyl)picolinonitrile
CID 122539755
3-Chloro-2-{4-[(4-chlorobenzyl)oxy]benzyl}-5-(trifluoromethyl)pyridine
CID 4361375
5-(Benzyloxy)-2-chloropyridine
CID 10013717

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-(4-chlorophenoxy)pyridine?
The IUPAC name of 2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-(4-chlorophenoxy)pyridine (CID 118431466) is 2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-(4-chlorophenoxy)pyridine.
What is the SMILES notation for 2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-(4-chlorophenoxy)pyridine?
The canonical SMILES for 2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-(4-chlorophenoxy)pyridine is Fc1cc(Cl)ccc1CC1(c2ccc(Oc3ccc(Cl)cc3)cn2)CO1.
What is the InChIKey of 2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-(4-chlorophenoxy)pyridine?
The InChIKey is VMEBENUUGVPARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2FNO2/c21-14-3-5-16(6-4-14)26-17-7-8-19(24-11-17)20(12-25-20)10-13-1-2-15(22)9-18(13)23/h1-9,11H,10,12H2.
What are the key properties of 2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-(4-chlorophenoxy)pyridine?
2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-(4-chlorophenoxy)pyridine has a molecular weight of 390.24 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-(4-chlorophenoxy)pyridine is sourced from PubChem (CID 118431466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).