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

C19H17F2N3O3 — CID 135235741

IUPAC2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine
SMILESCOCC(F)(F)c1ccc(Oc2ncccc2-c2cnccc2OC)cn1
InChIInChI=1S/C19H17F2N3O3/c1-25-12-19(20,21)17-6-5-13(10-24-17)27-18-14(4-3-8-23-18)15-11-22-9-7-16(15)26-2/h3-11H,12H2,1-2H3
InChIKeySFGYNCDRKGAOIO-UHFFFAOYSA-N
MW373.36 g/mol
LogP4.08
Rot. Bonds7

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

2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine (PubChem CID 135235741) has the molecular formula C19H17F2N3O3 and a molecular weight of 373.36 g/mol. Its IUPAC name is 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine.

Molecular Properties

Compound Name2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine
PubChem CID135235741
Molecular FormulaC19H17F2N3O3
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC Name2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine
SMILESCOCC(F)(F)c1ccc(Oc2ncccc2-c2cnccc2OC)cn1
InChIInChI=1S/C19H17F2N3O3/c1-25-12-19(20,21)17-6-5-13(10-24-17)27-18-14(4-3-8-23-18)15-11-22-9-7-16(15)26-2/h3-11H,12H2,1-2H3
InChIKeySFGYNCDRKGAOIO-UHFFFAOYSA-N
XLogP4.08
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine?
The IUPAC name of 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine (CID 135235741) is 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine.
What is the SMILES notation for 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine?
The canonical SMILES for 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine is COCC(F)(F)c1ccc(Oc2ncccc2-c2cnccc2OC)cn1.
What is the InChIKey of 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine?
The InChIKey is SFGYNCDRKGAOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O3/c1-25-12-19(20,21)17-6-5-13(10-24-17)27-18-14(4-3-8-23-18)15-11-22-9-7-16(15)26-2/h3-11H,12H2,1-2H3.
What are the key properties of 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine?
2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine has a molecular weight of 373.36 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine is sourced from PubChem (CID 135235741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).