2-benzylidene-5-(difluoromethoxy)-1H-pyridine

C13H11F2NO — CID 174906781

IUPAC2-benzylidene-5-(difluoromethoxy)-1H-pyridine
SMILESFC(F)OC1=CNC(=Cc2ccccc2)C=C1
InChIInChI=1S/C13H11F2NO/c14-13(15)17-12-7-6-11(16-9-12)8-10-4-2-1-3-5-10/h1-9,13,16H
InChIKeyJYBFGOSLNFVXKP-UHFFFAOYSA-N
MW235.23 g/mol
LogP3.27
Rot. Bonds3

About 2-benzylidene-5-(difluoromethoxy)-1H-pyridine

2-benzylidene-5-(difluoromethoxy)-1H-pyridine (PubChem CID 174906781) has the molecular formula C13H11F2NO and a molecular weight of 235.23 g/mol. Its IUPAC name is 2-benzylidene-5-(difluoromethoxy)-1H-pyridine.

Molecular Properties

Compound Name2-benzylidene-5-(difluoromethoxy)-1H-pyridine
PubChem CID174906781
Molecular FormulaC13H11F2NO
Molecular Weight235.23 g/mol
Exact Mass235.08
IUPAC Name2-benzylidene-5-(difluoromethoxy)-1H-pyridine
SMILESFC(F)OC1=CNC(=Cc2ccccc2)C=C1
InChIInChI=1S/C13H11F2NO/c14-13(15)17-12-7-6-11(16-9-12)8-10-4-2-1-3-5-10/h1-9,13,16H
InChIKeyJYBFGOSLNFVXKP-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzylidene-5-(difluoromethoxy)-1H-pyridine?
The IUPAC name of 2-benzylidene-5-(difluoromethoxy)-1H-pyridine (CID 174906781) is 2-benzylidene-5-(difluoromethoxy)-1H-pyridine.
What is the SMILES notation for 2-benzylidene-5-(difluoromethoxy)-1H-pyridine?
The canonical SMILES for 2-benzylidene-5-(difluoromethoxy)-1H-pyridine is FC(F)OC1=CNC(=Cc2ccccc2)C=C1.
What is the InChIKey of 2-benzylidene-5-(difluoromethoxy)-1H-pyridine?
The InChIKey is JYBFGOSLNFVXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO/c14-13(15)17-12-7-6-11(16-9-12)8-10-4-2-1-3-5-10/h1-9,13,16H.
What are the key properties of 2-benzylidene-5-(difluoromethoxy)-1H-pyridine?
2-benzylidene-5-(difluoromethoxy)-1H-pyridine has a molecular weight of 235.23 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylidene-5-(difluoromethoxy)-1H-pyridine is sourced from PubChem (CID 174906781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).