2-(difluoromethoxy)pyridine-4-carbonitrile

C7H4F2N2O — CID 46311554

IUPAC2-(difluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(OC(F)F)c1
InChIInChI=1S/C7H4F2N2O/c8-7(9)12-6-3-5(4-10)1-2-11-6/h1-3,7H
InChIKeyFTAIBGRHEXLHRZ-UHFFFAOYSA-N
MW170.12 g/mol
LogP1.55
Rot. Bonds2

About 2-(difluoromethoxy)pyridine-4-carbonitrile

2-(difluoromethoxy)pyridine-4-carbonitrile (PubChem CID 46311554) has the molecular formula C7H4F2N2O and a molecular weight of 170.12 g/mol. Its IUPAC name is 2-(difluoromethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(difluoromethoxy)pyridine-4-carbonitrile
PubChem CID46311554
Molecular FormulaC7H4F2N2O
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name2-(difluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(OC(F)F)c1
InChIInChI=1S/C7H4F2N2O/c8-7(9)12-6-3-5(4-10)1-2-11-6/h1-3,7H
InChIKeyFTAIBGRHEXLHRZ-UHFFFAOYSA-N
XLogP1.55
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-(difluoromethoxy)pyridine-4-carbonitrile (CID 46311554) is 2-(difluoromethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(difluoromethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-(difluoromethoxy)pyridine-4-carbonitrile is N#Cc1ccnc(OC(F)F)c1.
What is the InChIKey of 2-(difluoromethoxy)pyridine-4-carbonitrile?
The InChIKey is FTAIBGRHEXLHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O/c8-7(9)12-6-3-5(4-10)1-2-11-6/h1-3,7H.
What are the key properties of 2-(difluoromethoxy)pyridine-4-carbonitrile?
2-(difluoromethoxy)pyridine-4-carbonitrile has a molecular weight of 170.12 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 46311554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).