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

C18H15F2N3O2 — CID 135235688

IUPAC2-(1,1-difluoroethyl)-5-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]pyridine
SMILESCOc1cnccc1-c1cccnc1Oc1ccc(C(C)(F)F)nc1
InChIInChI=1S/C18H15F2N3O2/c1-18(19,20)16-6-5-12(10-23-16)25-17-14(4-3-8-22-17)13-7-9-21-11-15(13)24-2/h3-11H,1-2H3
InChIKeyIXJLUGLPUAQRMV-UHFFFAOYSA-N
MW343.33 g/mol
LogP4.45
Rot. Bonds5

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

2-(1,1-difluoroethyl)-5-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]pyridine (PubChem CID 135235688) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-5-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]pyridine.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-5-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]pyridine
PubChem CID135235688
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC Name2-(1,1-difluoroethyl)-5-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]pyridine
SMILESCOc1cnccc1-c1cccnc1Oc1ccc(C(C)(F)F)nc1
InChIInChI=1S/C18H15F2N3O2/c1-18(19,20)16-6-5-12(10-23-16)25-17-14(4-3-8-22-17)13-7-9-21-11-15(13)24-2/h3-11H,1-2H3
InChIKeyIXJLUGLPUAQRMV-UHFFFAOYSA-N
XLogP4.45
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-5-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]pyridine?
The IUPAC name of 2-(1,1-difluoroethyl)-5-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]pyridine (CID 135235688) is 2-(1,1-difluoroethyl)-5-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]pyridine.
What is the SMILES notation for 2-(1,1-difluoroethyl)-5-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]pyridine?
The canonical SMILES for 2-(1,1-difluoroethyl)-5-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]pyridine is COc1cnccc1-c1cccnc1Oc1ccc(C(C)(F)F)nc1.
What is the InChIKey of 2-(1,1-difluoroethyl)-5-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]pyridine?
The InChIKey is IXJLUGLPUAQRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c1-18(19,20)16-6-5-12(10-23-16)25-17-14(4-3-8-22-17)13-7-9-21-11-15(13)24-2/h3-11H,1-2H3.
What are the key properties of 2-(1,1-difluoroethyl)-5-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]pyridine?
2-(1,1-difluoroethyl)-5-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]pyridine has a molecular weight of 343.33 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-5-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]pyridine is sourced from PubChem (CID 135235688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).