6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-2-carbonitrile

C13H6ClF3N2 — CID 57468704

IUPAC6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)(F)F)cc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H6ClF3N2/c14-10-3-1-8(2-4-10)12-6-9(13(15,16)17)5-11(7-18)19-12/h1-6H
InChIKeyRUOUQAGMWDIVJB-UHFFFAOYSA-N
MW282.65 g/mol
LogP4.29
Rot. Bonds1

About 6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-2-carbonitrile

6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 57468704) has the molecular formula C13H6ClF3N2 and a molecular weight of 282.65 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID57468704
Molecular FormulaC13H6ClF3N2
Molecular Weight282.65 g/mol
Exact Mass282.02
IUPAC Name6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)(F)F)cc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H6ClF3N2/c14-10-3-1-8(2-4-10)12-6-9(13(15,16)17)5-11(7-18)19-12/h1-6H
InChIKeyRUOUQAGMWDIVJB-UHFFFAOYSA-N
XLogP4.29
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-2-carbonitrile (CID 57468704) is 6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1cc(C(F)(F)F)cc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is RUOUQAGMWDIVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF3N2/c14-10-3-1-8(2-4-10)12-6-9(13(15,16)17)5-11(7-18)19-12/h1-6H.
What are the key properties of 6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-2-carbonitrile?
6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 282.65 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 57468704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).