5,6-bis[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile

C20H10F6N2O2 — CID 134629098

IUPAC5,6-bis[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cnc(-c2ccccc2OC(F)(F)F)c(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C20H10F6N2O2/c21-19(22,23)29-16-7-3-1-5-13(16)15-9-12(10-27)11-28-18(15)14-6-2-4-8-17(14)30-20(24,25)26/h1-9,11H
InChIKeyMRZVASBWXAZCJX-UHFFFAOYSA-N
MW424.30 g/mol
LogP6.08
Rot. Bonds4

About 5,6-bis[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile

5,6-bis[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile (PubChem CID 134629098) has the molecular formula C20H10F6N2O2 and a molecular weight of 424.30 g/mol. Its IUPAC name is 5,6-bis[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5,6-bis[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
PubChem CID134629098
Molecular FormulaC20H10F6N2O2
Molecular Weight424.30 g/mol
Exact Mass424.06
IUPAC Name5,6-bis[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cnc(-c2ccccc2OC(F)(F)F)c(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C20H10F6N2O2/c21-19(22,23)29-16-7-3-1-5-13(16)15-9-12(10-27)11-28-18(15)14-6-2-4-8-17(14)30-20(24,25)26/h1-9,11H
InChIKeyMRZVASBWXAZCJX-UHFFFAOYSA-N
XLogP6.08
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.30
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(trifluoromethoxy)phenyl]pyrimidine-5-carbonitrile
CID 11391442
5-amino-2-[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 133086769
4-hydroxy-3-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 134626617
3-fluoro-5-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 134626601
2-[5-amino-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133086807
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
3-chloro-5-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 134629802
2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 134628099
3-methoxy-5-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 172989952
5-hydroxy-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 130091817
4-bromo-5-[2-(trifluoromethoxy)phenyl]pyrimidine
CID 105370928
4-[2-[4-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]benzonitrile
CID 57031804

Frequently Asked Questions

What is the IUPAC name of 5,6-bis[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 5,6-bis[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile (CID 134629098) is 5,6-bis[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5,6-bis[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 5,6-bis[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile is N#Cc1cnc(-c2ccccc2OC(F)(F)F)c(-c2ccccc2OC(F)(F)F)c1.
What is the InChIKey of 5,6-bis[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile?
The InChIKey is MRZVASBWXAZCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F6N2O2/c21-19(22,23)29-16-7-3-1-5-13(16)15-9-12(10-27)11-28-18(15)14-6-2-4-8-17(14)30-20(24,25)26/h1-9,11H.
What are the key properties of 5,6-bis[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile?
5,6-bis[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile has a molecular weight of 424.30 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 134629098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).