2-(1,1-difluoroethyl)-5-[[3-(6-ethyl-2-pyridinyl)-2-pyridinyl]oxy]pyridine

C19H17F2N3O — CID 135246532

IUPAC2-(1,1-difluoroethyl)-5-[[3-(6-ethyl-2-pyridinyl)-2-pyridinyl]oxy]pyridine
SMILESCCc1cccc(-c2cccnc2Oc2ccc(C(C)(F)F)nc2)n1
InChIInChI=1S/C19H17F2N3O/c1-3-13-6-4-8-16(24-13)15-7-5-11-22-18(15)25-14-9-10-17(23-12-14)19(2,20)21/h4-12H,3H2,1-2H3
InChIKeyGZYHRQMUKYDYHC-UHFFFAOYSA-N
MW341.36 g/mol
LogP5.01
Rot. Bonds5

About 2-(1,1-difluoroethyl)-5-[[3-(6-ethyl-2-pyridinyl)-2-pyridinyl]oxy]pyridine

2-(1,1-difluoroethyl)-5-[[3-(6-ethyl-2-pyridinyl)-2-pyridinyl]oxy]pyridine (PubChem CID 135246532) has the molecular formula C19H17F2N3O and a molecular weight of 341.36 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-5-[[3-(6-ethyl-2-pyridinyl)-2-pyridinyl]oxy]pyridine.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-5-[[3-(6-ethyl-2-pyridinyl)-2-pyridinyl]oxy]pyridine
PubChem CID135246532
Molecular FormulaC19H17F2N3O
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name2-(1,1-difluoroethyl)-5-[[3-(6-ethyl-2-pyridinyl)-2-pyridinyl]oxy]pyridine
SMILESCCc1cccc(-c2cccnc2Oc2ccc(C(C)(F)F)nc2)n1
InChIInChI=1S/C19H17F2N3O/c1-3-13-6-4-8-16(24-13)15-7-5-11-22-18(15)25-14-9-10-17(23-12-14)19(2,20)21/h4-12H,3H2,1-2H3
InChIKeyGZYHRQMUKYDYHC-UHFFFAOYSA-N
XLogP5.01
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.36
LogP ≤ 55.01
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-(6-ethyl-2-pyridinyl)-2-pyridinyl]oxy]pyridine?
The IUPAC name of 2-(1,1-difluoroethyl)-5-[[3-(6-ethyl-2-pyridinyl)-2-pyridinyl]oxy]pyridine (CID 135246532) is 2-(1,1-difluoroethyl)-5-[[3-(6-ethyl-2-pyridinyl)-2-pyridinyl]oxy]pyridine.
What is the SMILES notation for 2-(1,1-difluoroethyl)-5-[[3-(6-ethyl-2-pyridinyl)-2-pyridinyl]oxy]pyridine?
The canonical SMILES for 2-(1,1-difluoroethyl)-5-[[3-(6-ethyl-2-pyridinyl)-2-pyridinyl]oxy]pyridine is CCc1cccc(-c2cccnc2Oc2ccc(C(C)(F)F)nc2)n1.
What is the InChIKey of 2-(1,1-difluoroethyl)-5-[[3-(6-ethyl-2-pyridinyl)-2-pyridinyl]oxy]pyridine?
The InChIKey is GZYHRQMUKYDYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O/c1-3-13-6-4-8-16(24-13)15-7-5-11-22-18(15)25-14-9-10-17(23-12-14)19(2,20)21/h4-12H,3H2,1-2H3.
What are the key properties of 2-(1,1-difluoroethyl)-5-[[3-(6-ethyl-2-pyridinyl)-2-pyridinyl]oxy]pyridine?
2-(1,1-difluoroethyl)-5-[[3-(6-ethyl-2-pyridinyl)-2-pyridinyl]oxy]pyridine has a molecular weight of 341.36 g/mol, XLogP of 5.01, 5 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-(6-ethyl-2-pyridinyl)-2-pyridinyl]oxy]pyridine is sourced from PubChem (CID 135246532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).