2-(1,1-difluoroethyl)-5-[[3-(3-fluoro-4-pyridinyl)-2-pyridinyl]oxy]pyridine

C17H12F3N3O — CID 135235685

IUPAC2-(1,1-difluoroethyl)-5-[[3-(3-fluoro-4-pyridinyl)-2-pyridinyl]oxy]pyridine
SMILESCC(F)(F)c1ccc(Oc2ncccc2-c2ccncc2F)cn1
InChIInChI=1S/C17H12F3N3O/c1-17(19,20)15-5-4-11(9-23-15)24-16-13(3-2-7-22-16)12-6-8-21-10-14(12)18/h2-10H,1H3
InChIKeyYGVABMNNBYYSPJ-UHFFFAOYSA-N
MW331.30 g/mol
LogP4.58
Rot. Bonds4

About 2-(1,1-difluoroethyl)-5-[[3-(3-fluoro-4-pyridinyl)-2-pyridinyl]oxy]pyridine

2-(1,1-difluoroethyl)-5-[[3-(3-fluoro-4-pyridinyl)-2-pyridinyl]oxy]pyridine (PubChem CID 135235685) has the molecular formula C17H12F3N3O and a molecular weight of 331.30 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-5-[[3-(3-fluoro-4-pyridinyl)-2-pyridinyl]oxy]pyridine.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-5-[[3-(3-fluoro-4-pyridinyl)-2-pyridinyl]oxy]pyridine
PubChem CID135235685
Molecular FormulaC17H12F3N3O
Molecular Weight331.30 g/mol
Exact Mass331.09
IUPAC Name2-(1,1-difluoroethyl)-5-[[3-(3-fluoro-4-pyridinyl)-2-pyridinyl]oxy]pyridine
SMILESCC(F)(F)c1ccc(Oc2ncccc2-c2ccncc2F)cn1
InChIInChI=1S/C17H12F3N3O/c1-17(19,20)15-5-4-11(9-23-15)24-16-13(3-2-7-22-16)12-6-8-21-10-14(12)18/h2-10H,1H3
InChIKeyYGVABMNNBYYSPJ-UHFFFAOYSA-N
XLogP4.58
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-5-[[3-(3-fluoro-4-pyridinyl)-2-pyridinyl]oxy]pyridine?
The IUPAC name of 2-(1,1-difluoroethyl)-5-[[3-(3-fluoro-4-pyridinyl)-2-pyridinyl]oxy]pyridine (CID 135235685) is 2-(1,1-difluoroethyl)-5-[[3-(3-fluoro-4-pyridinyl)-2-pyridinyl]oxy]pyridine.
What is the SMILES notation for 2-(1,1-difluoroethyl)-5-[[3-(3-fluoro-4-pyridinyl)-2-pyridinyl]oxy]pyridine?
The canonical SMILES for 2-(1,1-difluoroethyl)-5-[[3-(3-fluoro-4-pyridinyl)-2-pyridinyl]oxy]pyridine is CC(F)(F)c1ccc(Oc2ncccc2-c2ccncc2F)cn1.
What is the InChIKey of 2-(1,1-difluoroethyl)-5-[[3-(3-fluoro-4-pyridinyl)-2-pyridinyl]oxy]pyridine?
The InChIKey is YGVABMNNBYYSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O/c1-17(19,20)15-5-4-11(9-23-15)24-16-13(3-2-7-22-16)12-6-8-21-10-14(12)18/h2-10H,1H3.
What are the key properties of 2-(1,1-difluoroethyl)-5-[[3-(3-fluoro-4-pyridinyl)-2-pyridinyl]oxy]pyridine?
2-(1,1-difluoroethyl)-5-[[3-(3-fluoro-4-pyridinyl)-2-pyridinyl]oxy]pyridine has a molecular weight of 331.30 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-5-[[3-(3-fluoro-4-pyridinyl)-2-pyridinyl]oxy]pyridine is sourced from PubChem (CID 135235685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).