3,5-difluoro-4-[(2-methyl-3-pyridinyl)oxy]benzonitrile

C13H8F2N2O — CID 81283347

IUPAC3,5-difluoro-4-[(2-methyl-3-pyridinyl)oxy]benzonitrile
SMILESCc1ncccc1Oc1c(F)cc(C#N)cc1F
InChIInChI=1S/C13H8F2N2O/c1-8-12(3-2-4-17-8)18-13-10(14)5-9(7-16)6-11(13)15/h2-6H,1H3
InChIKeyATOKKALCXHGTRU-UHFFFAOYSA-N
MW246.22 g/mol
LogP3.33
Rot. Bonds2

About 3,5-difluoro-4-[(2-methyl-3-pyridinyl)oxy]benzonitrile

3,5-difluoro-4-[(2-methyl-3-pyridinyl)oxy]benzonitrile (PubChem CID 81283347) has the molecular formula C13H8F2N2O and a molecular weight of 246.22 g/mol. Its IUPAC name is 3,5-difluoro-4-[(2-methyl-3-pyridinyl)oxy]benzonitrile.

Molecular Properties

Compound Name3,5-difluoro-4-[(2-methyl-3-pyridinyl)oxy]benzonitrile
PubChem CID81283347
Molecular FormulaC13H8F2N2O
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name3,5-difluoro-4-[(2-methyl-3-pyridinyl)oxy]benzonitrile
SMILESCc1ncccc1Oc1c(F)cc(C#N)cc1F
InChIInChI=1S/C13H8F2N2O/c1-8-12(3-2-4-17-8)18-13-10(14)5-9(7-16)6-11(13)15/h2-6H,1H3
InChIKeyATOKKALCXHGTRU-UHFFFAOYSA-N
XLogP3.33
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-5-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 102818187
3,5-difluoro-4-[(2-methyl-3-pyridinyl)oxy]benzenecarbothioamide
CID 81285627
4-(2,3-difluorophenoxy)-3,5-difluorobenzonitrile
CID 81283926
3,5-difluoro-4-(2-fluoro-5-methylphenoxy)benzonitrile
CID 81283852
4-(2-ethylphenoxy)-3,5-difluorobenzonitrile
CID 81282911
5-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 107928229
4-(2-amino-5-fluorophenoxy)-3,5-difluorobenzonitrile
CID 81294672
6-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyrimidine-4-carbonitrile
CID 107545995
3,5-difluoro-4-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzonitrile
CID 81285817
4-methoxy-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 81306225
5-bromo-3-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carbonitrile
CID 67485726
3,5-difluoro-4-quinolin-3-yloxybenzonitrile
CID 107387129

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[(2-methyl-3-pyridinyl)oxy]benzonitrile?
The IUPAC name of 3,5-difluoro-4-[(2-methyl-3-pyridinyl)oxy]benzonitrile (CID 81283347) is 3,5-difluoro-4-[(2-methyl-3-pyridinyl)oxy]benzonitrile.
What is the SMILES notation for 3,5-difluoro-4-[(2-methyl-3-pyridinyl)oxy]benzonitrile?
The canonical SMILES for 3,5-difluoro-4-[(2-methyl-3-pyridinyl)oxy]benzonitrile is Cc1ncccc1Oc1c(F)cc(C#N)cc1F.
What is the InChIKey of 3,5-difluoro-4-[(2-methyl-3-pyridinyl)oxy]benzonitrile?
The InChIKey is ATOKKALCXHGTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O/c1-8-12(3-2-4-17-8)18-13-10(14)5-9(7-16)6-11(13)15/h2-6H,1H3.
What are the key properties of 3,5-difluoro-4-[(2-methyl-3-pyridinyl)oxy]benzonitrile?
3,5-difluoro-4-[(2-methyl-3-pyridinyl)oxy]benzonitrile has a molecular weight of 246.22 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[(2-methyl-3-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 81283347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).