5-(2,5-difluorophenoxy)pyridine-2-carbonitrile

C12H6F2N2O — CID 113320711

IUPAC5-(2,5-difluorophenoxy)pyridine-2-carbonitrile
SMILESN#Cc1ccc(Oc2cc(F)ccc2F)cn1
InChIInChI=1S/C12H6F2N2O/c13-8-1-4-11(14)12(5-8)17-10-3-2-9(6-15)16-7-10/h1-5,7H
InChIKeyAYOOVBZMGTUBRA-UHFFFAOYSA-N
MW232.19 g/mol
LogP3.02
Rot. Bonds2

About 5-(2,5-difluorophenoxy)pyridine-2-carbonitrile

5-(2,5-difluorophenoxy)pyridine-2-carbonitrile (PubChem CID 113320711) has the molecular formula C12H6F2N2O and a molecular weight of 232.19 g/mol. Its IUPAC name is 5-(2,5-difluorophenoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(2,5-difluorophenoxy)pyridine-2-carbonitrile
PubChem CID113320711
Molecular FormulaC12H6F2N2O
Molecular Weight232.19 g/mol
Exact Mass232.04
IUPAC Name5-(2,5-difluorophenoxy)pyridine-2-carbonitrile
SMILESN#Cc1ccc(Oc2cc(F)ccc2F)cn1
InChIInChI=1S/C12H6F2N2O/c13-8-1-4-11(14)12(5-8)17-10-3-2-9(6-15)16-7-10/h1-5,7H
InChIKeyAYOOVBZMGTUBRA-UHFFFAOYSA-N
XLogP3.02
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-difluorophenoxy)benzonitrile
CID 63269334
5-(4-chlorophenoxy)pyridine-2-carbonitrile
CID 14823232
2-(4-chlorophenoxy)-1,4-difluorobenzene
CID 141112075
5-(4-cyano-2-methoxyphenoxy)pyridine-2-carbonitrile
CID 115487862
5-(5-amino-2-methylphenoxy)pyridine-2-carbonitrile
CID 113321409
5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile
CID 79840079
5-(3-amino-2-methylphenoxy)pyridine-2-carbonitrile
CID 113321408
2-(2,5-difluorophenoxy)-1,3-oxazole
CID 91062877
4-(5-fluoro-2-methylphenoxy)pyridine-2-carbonitrile
CID 102981648
5-(5-amino-2-methoxyphenoxy)pyridine-2-carbonitrile
CID 113321406
4-(2-fluorophenoxy)pyridine-2-carbonitrile
CID 62936070
5-(4-chloro-2,6-dimethylphenoxy)pyridine-2-carbonitrile
CID 115487857

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenoxy)pyridine-2-carbonitrile?
The IUPAC name of 5-(2,5-difluorophenoxy)pyridine-2-carbonitrile (CID 113320711) is 5-(2,5-difluorophenoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(2,5-difluorophenoxy)pyridine-2-carbonitrile?
The canonical SMILES for 5-(2,5-difluorophenoxy)pyridine-2-carbonitrile is N#Cc1ccc(Oc2cc(F)ccc2F)cn1.
What is the InChIKey of 5-(2,5-difluorophenoxy)pyridine-2-carbonitrile?
The InChIKey is AYOOVBZMGTUBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F2N2O/c13-8-1-4-11(14)12(5-8)17-10-3-2-9(6-15)16-7-10/h1-5,7H.
What are the key properties of 5-(2,5-difluorophenoxy)pyridine-2-carbonitrile?
5-(2,5-difluorophenoxy)pyridine-2-carbonitrile has a molecular weight of 232.19 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 113320711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).