2-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

C15H8F6N2 — CID 10806286

IUPAC2-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESCc1nc(C(F)(F)F)cc(-c2ccc(C(F)(F)F)cc2)c1C#N
InChIInChI=1S/C15H8F6N2/c1-8-12(7-22)11(6-13(23-8)15(19,20)21)9-2-4-10(5-3-9)14(16,17)18/h2-6H,1H3
InChIKeyRQSGYDNUQVYDCH-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.97
Rot. Bonds1

About 2-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

2-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (PubChem CID 10806286) has the molecular formula C15H8F6N2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
PubChem CID10806286
Molecular FormulaC15H8F6N2
Molecular Weight330.23 g/mol
Exact Mass330.06
IUPAC Name2-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESCc1nc(C(F)(F)F)cc(-c2ccc(C(F)(F)F)cc2)c1C#N
InChIInChI=1S/C15H8F6N2/c1-8-12(7-22)11(6-13(23-8)15(19,20)21)9-2-4-10(5-3-9)14(16,17)18/h2-6H,1H3
InChIKeyRQSGYDNUQVYDCH-UHFFFAOYSA-N
XLogP4.97
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3505771
2-amino-6-tert-butyl-4-(4-methylphenyl)pyridine-3-carbonitrile;hydrochloride
CID 17384327
2-methyl-4,6-diphenylpyridine-3-carbonitrile
CID 4135564
1-chloro-3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 53363414
4,6-bis[4-(dimethylamino)phenyl]-2-methylpyridine-3-carbonitrile
CID 15133245
6-methyl-2-oxo-4-[2-[4-(trifluoromethyl)phenyl]phenyl]-1H-pyridine-3-carbonitrile
CID 168585170
6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 11097920
2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 130681330
4-phenyl-2,6-bis(trifluoromethyl)quinoline
CID 135018944
2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3350002
2-amino-4-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 10449235
2-(4-tert-butylphenyl)-4-(trifluoromethyl)benzonitrile
CID 58873357

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 2-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (CID 10806286) is 2-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is Cc1nc(C(F)(F)F)cc(-c2ccc(C(F)(F)F)cc2)c1C#N.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The InChIKey is RQSGYDNUQVYDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F6N2/c1-8-12(7-22)11(6-13(23-8)15(19,20)21)9-2-4-10(5-3-9)14(16,17)18/h2-6H,1H3.
What are the key properties of 2-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
2-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile has a molecular weight of 330.23 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 10806286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).