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

C11H8F2N2O — CID 46316889

IUPAC3-(difluoromethoxy)-5-pyridin-3-ylpyridine
SMILESFC(F)Oc1cncc(-c2cccnc2)c1
InChIInChI=1S/C11H8F2N2O/c12-11(13)16-10-4-9(6-15-7-10)8-2-1-3-14-5-8/h1-7,11H
InChIKeyRXZXTKMDDZCKCM-UHFFFAOYSA-N
MW222.19 g/mol
LogP2.74
Rot. Bonds3

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

3-(difluoromethoxy)-5-pyridin-3-ylpyridine (PubChem CID 46316889) has the molecular formula C11H8F2N2O and a molecular weight of 222.19 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-pyridin-3-ylpyridine.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-pyridin-3-ylpyridine
PubChem CID46316889
Molecular FormulaC11H8F2N2O
Molecular Weight222.19 g/mol
Exact Mass222.06
IUPAC Name3-(difluoromethoxy)-5-pyridin-3-ylpyridine
SMILESFC(F)Oc1cncc(-c2cccnc2)c1
InChIInChI=1S/C11H8F2N2O/c12-11(13)16-10-4-9(6-15-7-10)8-2-1-3-14-5-8/h1-7,11H
InChIKeyRXZXTKMDDZCKCM-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 3-(difluoromethoxy)-5-pyridin-3-ylpyridine?
The IUPAC name of 3-(difluoromethoxy)-5-pyridin-3-ylpyridine (CID 46316889) is 3-(difluoromethoxy)-5-pyridin-3-ylpyridine.
What is the SMILES notation for 3-(difluoromethoxy)-5-pyridin-3-ylpyridine?
The canonical SMILES for 3-(difluoromethoxy)-5-pyridin-3-ylpyridine is FC(F)Oc1cncc(-c2cccnc2)c1.
What is the InChIKey of 3-(difluoromethoxy)-5-pyridin-3-ylpyridine?
The InChIKey is RXZXTKMDDZCKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O/c12-11(13)16-10-4-9(6-15-7-10)8-2-1-3-14-5-8/h1-7,11H.
What are the key properties of 3-(difluoromethoxy)-5-pyridin-3-ylpyridine?
3-(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 3-(difluoromethoxy)-5-pyridin-3-ylpyridine is sourced from PubChem (CID 46316889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).