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

C20H10F6N2 — CID 134623343

IUPAC3,5-bis[2-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1ncc(-c2ccccc2C(F)(F)F)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C20H10F6N2/c21-19(22,23)16-7-3-1-5-13(16)12-9-15(18(10-27)28-11-12)14-6-2-4-8-17(14)20(24,25)26/h1-9,11H
InChIKeyHVZNBCFZVKFOKR-UHFFFAOYSA-N
MW392.30 g/mol
LogP6.32
Rot. Bonds2

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

3,5-bis[2-(trifluoromethyl)phenyl]pyridine-2-carbonitrile (PubChem CID 134623343) has the molecular formula C20H10F6N2 and a molecular weight of 392.30 g/mol. Its IUPAC name is 3,5-bis[2-(trifluoromethyl)phenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3,5-bis[2-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
PubChem CID134623343
Molecular FormulaC20H10F6N2
Molecular Weight392.30 g/mol
Exact Mass392.07
IUPAC Name3,5-bis[2-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1ncc(-c2ccccc2C(F)(F)F)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C20H10F6N2/c21-19(22,23)16-7-3-1-5-13(16)12-9-15(18(10-27)28-11-12)14-6-2-4-8-17(14)20(24,25)26/h1-9,11H
InChIKeyHVZNBCFZVKFOKR-UHFFFAOYSA-N
XLogP6.32
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.30
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3,5-bis[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 134623346
2-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 118998520
2,3-dichloro-5-[2-(trifluoromethyl)phenyl]pyridine
CID 118815216
2,3-dimethyl-5-[2-(trifluoromethyl)phenyl]pyridine
CID 145031967
2,5-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine
CID 134624057
6-[2-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile
CID 58774788
4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine
CID 118817860
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
5-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 134628594
2-[5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 134628875
2-amino-5-[2-(trifluoromethyl)phenyl]benzonitrile
CID 118839696
3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 138496672

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[2-(trifluoromethyl)phenyl]pyridine-2-carbonitrile?
The IUPAC name of 3,5-bis[2-(trifluoromethyl)phenyl]pyridine-2-carbonitrile (CID 134623343) is 3,5-bis[2-(trifluoromethyl)phenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3,5-bis[2-(trifluoromethyl)phenyl]pyridine-2-carbonitrile?
The canonical SMILES for 3,5-bis[2-(trifluoromethyl)phenyl]pyridine-2-carbonitrile is N#Cc1ncc(-c2ccccc2C(F)(F)F)cc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 3,5-bis[2-(trifluoromethyl)phenyl]pyridine-2-carbonitrile?
The InChIKey is HVZNBCFZVKFOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F6N2/c21-19(22,23)16-7-3-1-5-13(16)12-9-15(18(10-27)28-11-12)14-6-2-4-8-17(14)20(24,25)26/h1-9,11H.
What are the key properties of 3,5-bis[2-(trifluoromethyl)phenyl]pyridine-2-carbonitrile?
3,5-bis[2-(trifluoromethyl)phenyl]pyridine-2-carbonitrile has a molecular weight of 392.30 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[2-(trifluoromethyl)phenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 134623343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).