2-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenyl]pyridine

C18H10ClF5N2O — CID 18359726

IUPAC2-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenyl]pyridine
SMILESCc1c(F)c(Oc2ccnc(Cl)c2)nc(-c2cccc(C(F)(F)F)c2)c1F
InChIInChI=1S/C18H10ClF5N2O/c1-9-14(20)16(10-3-2-4-11(7-10)18(22,23)24)26-17(15(9)21)27-12-5-6-25-13(19)8-12/h2-8H,1H3
InChIKeyBUELLJONGGAJRX-UHFFFAOYSA-N
MW400.73 g/mol
LogP6.19
Rot. Bonds3

About 2-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenyl]pyridine

2-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenyl]pyridine (PubChem CID 18359726) has the molecular formula C18H10ClF5N2O and a molecular weight of 400.73 g/mol. Its IUPAC name is 2-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenyl]pyridine
PubChem CID18359726
Molecular FormulaC18H10ClF5N2O
Molecular Weight400.73 g/mol
Exact Mass400.04
IUPAC Name2-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenyl]pyridine
SMILESCc1c(F)c(Oc2ccnc(Cl)c2)nc(-c2cccc(C(F)(F)F)c2)c1F
InChIInChI=1S/C18H10ClF5N2O/c1-9-14(20)16(10-3-2-4-11(7-10)18(22,23)24)26-17(15(9)21)27-12-5-6-25-13(19)8-12/h2-8H,1H3
InChIKeyBUELLJONGGAJRX-UHFFFAOYSA-N
XLogP6.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.73
LogP ≤ 56.19
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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Related Compounds

US10155760, Example 147
CID 118429884
US10155760, Example 158
CID 118420068
US10155760, Example 143
CID 129279925
7-Chloro-4-(4-fluorophenoxy)quinoline
CID 164171
1-[4-(4-chloro-2-ethylphenoxy)-6-methyl-3-pyridinyl]-N,N-dimethylmethanamine
CID 44449268
2-(3-chlorophenyl)-3-(111C)methoxy-6-(pyridin-4-ylmethyl)pyridine
CID 168269904
4-Chloro-7-[(4-fluorophenyl)methoxy]quinoline
CID 78324293
US10155760, Example 169
CID 118420060
US10155760, Example 168
CID 118429831
US10155760, Example 142
CID 118429968
1-(4-chlorophenyl)-N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-N-methyl-1-pyridin-2-ylmethanamine
CID 121412889
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-2,2,2-trifluoro-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]ethanamine
CID 121413256

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenyl]pyridine (CID 18359726) is 2-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenyl]pyridine is Cc1c(F)c(Oc2ccnc(Cl)c2)nc(-c2cccc(C(F)(F)F)c2)c1F.
What is the InChIKey of 2-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is BUELLJONGGAJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF5N2O/c1-9-14(20)16(10-3-2-4-11(7-10)18(22,23)24)26-17(15(9)21)27-12-5-6-25-13(19)8-12/h2-8H,1H3.
What are the key properties of 2-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenyl]pyridine?
2-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 400.73 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 18359726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).