6-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]pyridine-3-carbonitrile

C15H12F3N3 — CID 66476214

IUPAC6-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(Nc2cc(C(F)(F)F)ccc2C)n1
InChIInChI=1S/C15H12F3N3/c1-9-3-6-12(15(16,17)18)7-13(9)21-14-11(8-19)5-4-10(2)20-14/h3-7H,1-2H3,(H,20,21)
InChIKeyITKHATDXYOIVIW-UHFFFAOYSA-N
MW291.28 g/mol
LogP4.33
Rot. Bonds2

About 6-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]pyridine-3-carbonitrile

6-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]pyridine-3-carbonitrile (PubChem CID 66476214) has the molecular formula C15H12F3N3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 6-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]pyridine-3-carbonitrile
PubChem CID66476214
Molecular FormulaC15H12F3N3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name6-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(Nc2cc(C(F)(F)F)ccc2C)n1
InChIInChI=1S/C15H12F3N3/c1-9-3-6-12(15(16,17)18)7-13(9)21-14-11(8-19)5-4-10(2)20-14/h3-7H,1-2H3,(H,20,21)
InChIKeyITKHATDXYOIVIW-UHFFFAOYSA-N
XLogP4.33
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]pyridine-3-carbonitrile (CID 66476214) is 6-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]pyridine-3-carbonitrile is Cc1ccc(C#N)c(Nc2cc(C(F)(F)F)ccc2C)n1.
What is the InChIKey of 6-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]pyridine-3-carbonitrile?
The InChIKey is ITKHATDXYOIVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3/c1-9-3-6-12(15(16,17)18)7-13(9)21-14-11(8-19)5-4-10(2)20-14/h3-7H,1-2H3,(H,20,21).
What are the key properties of 6-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]pyridine-3-carbonitrile?
6-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]pyridine-3-carbonitrile has a molecular weight of 291.28 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]pyridine-3-carbonitrile is sourced from PubChem (CID 66476214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).