6-[cyano-[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carbonitrile

C15H8F3N3O — CID 56604855

IUPAC6-[cyano-[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(C(C#N)c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C15H8F3N3O/c16-15(17,18)22-14-7-2-1-5-11(14)12(9-20)13-6-3-4-10(8-19)21-13/h1-7,12H
InChIKeyGTYOXANJPAEFHE-UHFFFAOYSA-N
MW303.24 g/mol
LogP3.51
Rot. Bonds3

About 6-[cyano-[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carbonitrile

6-[cyano-[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carbonitrile (PubChem CID 56604855) has the molecular formula C15H8F3N3O and a molecular weight of 303.24 g/mol. Its IUPAC name is 6-[cyano-[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[cyano-[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carbonitrile
PubChem CID56604855
Molecular FormulaC15H8F3N3O
Molecular Weight303.24 g/mol
Exact Mass303.06
IUPAC Name6-[cyano-[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(C(C#N)c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C15H8F3N3O/c16-15(17,18)22-14-7-2-1-5-11(14)12(9-20)13-6-3-4-10(8-19)21-13/h1-7,12H
InChIKeyGTYOXANJPAEFHE-UHFFFAOYSA-N
XLogP3.51
TPSA69.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[cyano-[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carbonitrile?
The IUPAC name of 6-[cyano-[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carbonitrile (CID 56604855) is 6-[cyano-[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[cyano-[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[cyano-[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carbonitrile is N#Cc1cccc(C(C#N)c2ccccc2OC(F)(F)F)n1.
What is the InChIKey of 6-[cyano-[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carbonitrile?
The InChIKey is GTYOXANJPAEFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3O/c16-15(17,18)22-14-7-2-1-5-11(14)12(9-20)13-6-3-4-10(8-19)21-13/h1-7,12H.
What are the key properties of 6-[cyano-[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carbonitrile?
6-[cyano-[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carbonitrile has a molecular weight of 303.24 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyano-[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 56604855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).