2-(difluoromethoxy)-5-pyridin-3-ylpyridine

C11H8F2N2O — CID 46316891

IUPAC2-(difluoromethoxy)-5-pyridin-3-ylpyridine
SMILESFC(F)Oc1ccc(-c2cccnc2)cn1
InChIInChI=1S/C11H8F2N2O/c12-11(13)16-10-4-3-9(7-15-10)8-2-1-5-14-6-8/h1-7,11H
InChIKeyKMIVIQLSUCHKRL-UHFFFAOYSA-N
MW222.19 g/mol
LogP2.74
Rot. Bonds3

About 2-(difluoromethoxy)-5-pyridin-3-ylpyridine

2-(difluoromethoxy)-5-pyridin-3-ylpyridine (PubChem CID 46316891) has the molecular formula C11H8F2N2O and a molecular weight of 222.19 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-pyridin-3-ylpyridine.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-pyridin-3-ylpyridine
PubChem CID46316891
Molecular FormulaC11H8F2N2O
Molecular Weight222.19 g/mol
Exact Mass222.06
IUPAC Name2-(difluoromethoxy)-5-pyridin-3-ylpyridine
SMILESFC(F)Oc1ccc(-c2cccnc2)cn1
InChIInChI=1S/C11H8F2N2O/c12-11(13)16-10-4-3-9(7-15-10)8-2-1-5-14-6-8/h1-7,11H
InChIKeyKMIVIQLSUCHKRL-UHFFFAOYSA-N
XLogP2.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-pyridin-3-ylpyridine?
The IUPAC name of 2-(difluoromethoxy)-5-pyridin-3-ylpyridine (CID 46316891) is 2-(difluoromethoxy)-5-pyridin-3-ylpyridine.
What is the SMILES notation for 2-(difluoromethoxy)-5-pyridin-3-ylpyridine?
The canonical SMILES for 2-(difluoromethoxy)-5-pyridin-3-ylpyridine is FC(F)Oc1ccc(-c2cccnc2)cn1.
What is the InChIKey of 2-(difluoromethoxy)-5-pyridin-3-ylpyridine?
The InChIKey is KMIVIQLSUCHKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O/c12-11(13)16-10-4-3-9(7-15-10)8-2-1-5-14-6-8/h1-7,11H.
What are the key properties of 2-(difluoromethoxy)-5-pyridin-3-ylpyridine?
2-(difluoromethoxy)-5-pyridin-3-ylpyridine has a molecular weight of 222.19 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-pyridin-3-ylpyridine is sourced from PubChem (CID 46316891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).