3-[(2-chloro-4-pyridinyl)oxy]-2-(4-fluorophenyl)-6-methylpyridine

C17H12ClFN2O — CID 86627943

IUPAC3-[(2-chloro-4-pyridinyl)oxy]-2-(4-fluorophenyl)-6-methylpyridine
SMILESCc1ccc(Oc2ccnc(Cl)c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H12ClFN2O/c1-11-2-7-15(22-14-8-9-20-16(18)10-14)17(21-11)12-3-5-13(19)6-4-12/h2-10H,1H3
InChIKeyALLLIVJPSNEJPZ-UHFFFAOYSA-N
MW314.75 g/mol
LogP5.04
Rot. Bonds3

About 3-[(2-chloro-4-pyridinyl)oxy]-2-(4-fluorophenyl)-6-methylpyridine

3-[(2-chloro-4-pyridinyl)oxy]-2-(4-fluorophenyl)-6-methylpyridine (PubChem CID 86627943) has the molecular formula C17H12ClFN2O and a molecular weight of 314.75 g/mol. Its IUPAC name is 3-[(2-chloro-4-pyridinyl)oxy]-2-(4-fluorophenyl)-6-methylpyridine.

Molecular Properties

Compound Name3-[(2-chloro-4-pyridinyl)oxy]-2-(4-fluorophenyl)-6-methylpyridine
PubChem CID86627943
Molecular FormulaC17H12ClFN2O
Molecular Weight314.75 g/mol
Exact Mass314.06
IUPAC Name3-[(2-chloro-4-pyridinyl)oxy]-2-(4-fluorophenyl)-6-methylpyridine
SMILESCc1ccc(Oc2ccnc(Cl)c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H12ClFN2O/c1-11-2-7-15(22-14-8-9-20-16(18)10-14)17(21-11)12-3-5-13(19)6-4-12/h2-10H,1H3
InChIKeyALLLIVJPSNEJPZ-UHFFFAOYSA-N
XLogP5.04
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.75
LogP ≤ 55.04
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

Pilavapadin
CID 118419773
3-(Benzyloxy)-2-chloropyridine
CID 819374
3-(3-Chloro-4-fluoro-phenyl)-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 44372042
US10155760, Example 238
CID 118419882
Aak1-IN-5
CID 118420559
US10155760, Example 125
CID 118429626
US10155760, Example 122
CID 118429629
US10155760, Example 147
CID 118429884
3-[(2S)-2-amino-3-phenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 20744808
2-Chloro-5-(1-methyl-pyrrolidin-2-ylmethoxy)-3-(2-pyridin-4-yl-ethyl)-pyridine
CID 10426859
2-Chloro-5-(1-methyl-azetidin-2-ylmethoxy)-3-(2-pyridin-4-yl-vinyl)-pyridine
CID 10925116
2-Chloro-5-(1-methyl-pyrrolidin-2-ylmethoxy)-3-(2-pyridin-2-yl-vinyl)-pyridine
CID 10947475

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-pyridinyl)oxy]-2-(4-fluorophenyl)-6-methylpyridine?
The IUPAC name of 3-[(2-chloro-4-pyridinyl)oxy]-2-(4-fluorophenyl)-6-methylpyridine (CID 86627943) is 3-[(2-chloro-4-pyridinyl)oxy]-2-(4-fluorophenyl)-6-methylpyridine.
What is the SMILES notation for 3-[(2-chloro-4-pyridinyl)oxy]-2-(4-fluorophenyl)-6-methylpyridine?
The canonical SMILES for 3-[(2-chloro-4-pyridinyl)oxy]-2-(4-fluorophenyl)-6-methylpyridine is Cc1ccc(Oc2ccnc(Cl)c2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 3-[(2-chloro-4-pyridinyl)oxy]-2-(4-fluorophenyl)-6-methylpyridine?
The InChIKey is ALLLIVJPSNEJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O/c1-11-2-7-15(22-14-8-9-20-16(18)10-14)17(21-11)12-3-5-13(19)6-4-12/h2-10H,1H3.
What are the key properties of 3-[(2-chloro-4-pyridinyl)oxy]-2-(4-fluorophenyl)-6-methylpyridine?
3-[(2-chloro-4-pyridinyl)oxy]-2-(4-fluorophenyl)-6-methylpyridine has a molecular weight of 314.75 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-pyridinyl)oxy]-2-(4-fluorophenyl)-6-methylpyridine is sourced from PubChem (CID 86627943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).