6-(difluoromethoxy)pyridine-3-carbonitrile

C7H4F2N2O — CID 46311555

IUPAC6-(difluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1ccc(OC(F)F)nc1
InChIInChI=1S/C7H4F2N2O/c8-7(9)12-6-2-1-5(3-10)4-11-6/h1-2,4,7H
InChIKeyRASGKOKUJVRDAN-UHFFFAOYSA-N
MW170.12 g/mol
LogP1.55
Rot. Bonds2

About 6-(difluoromethoxy)pyridine-3-carbonitrile

6-(difluoromethoxy)pyridine-3-carbonitrile (PubChem CID 46311555) has the molecular formula C7H4F2N2O and a molecular weight of 170.12 g/mol. Its IUPAC name is 6-(difluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethoxy)pyridine-3-carbonitrile
PubChem CID46311555
Molecular FormulaC7H4F2N2O
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name6-(difluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1ccc(OC(F)F)nc1
InChIInChI=1S/C7H4F2N2O/c8-7(9)12-6-2-1-5(3-10)4-11-6/h1-2,4,7H
InChIKeyRASGKOKUJVRDAN-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

Analyze 6-(difluoromethoxy)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 6-(difluoromethoxy)pyridine-3-carbonitrile (CID 46311555) is 6-(difluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(difluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 6-(difluoromethoxy)pyridine-3-carbonitrile is N#Cc1ccc(OC(F)F)nc1.
What is the InChIKey of 6-(difluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is RASGKOKUJVRDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O/c8-7(9)12-6-2-1-5(3-10)4-11-6/h1-2,4,7H.
What are the key properties of 6-(difluoromethoxy)pyridine-3-carbonitrile?
6-(difluoromethoxy)pyridine-3-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 6-(difluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 46311555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).