6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile

C14H8ClF3N2 — CID 3322416

IUPAC6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C14H8ClF3N2/c1-8-11(7-19)12(14(16,17)18)6-13(20-8)9-2-4-10(15)5-3-9/h2-6H,1H3
InChIKeyNIDKWQCWYHXIIM-UHFFFAOYSA-N
MW296.68 g/mol
LogP4.60
Rot. Bonds1

About 6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile

6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 3322416) has the molecular formula C14H8ClF3N2 and a molecular weight of 296.68 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID3322416
Molecular FormulaC14H8ClF3N2
Molecular Weight296.68 g/mol
Exact Mass296.03
IUPAC Name6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C14H8ClF3N2/c1-8-11(7-19)12(14(16,17)18)6-13(20-8)9-2-4-10(15)5-3-9/h2-6H,1H3
InChIKeyNIDKWQCWYHXIIM-UHFFFAOYSA-N
XLogP4.60
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 3322416) is 6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile is Cc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1C#N.
What is the InChIKey of 6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is NIDKWQCWYHXIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2/c1-8-11(7-19)12(14(16,17)18)6-13(20-8)9-2-4-10(15)5-3-9/h2-6H,1H3.
What are the key properties of 6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 296.68 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3322416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).