4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyridine

C19H14F3N — CID 155775338

IUPAC4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyridine
SMILESCc1cccc(-c2cc(-c3ccccc3)nc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H14F3N/c1-13-6-5-9-15(10-13)16-11-17(14-7-3-2-4-8-14)23-18(12-16)19(20,21)22/h2-12H,1H3
InChIKeyKWPSFFZDKAXCRC-UHFFFAOYSA-N
MW313.32 g/mol
LogP5.74
Rot. Bonds2

About 4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyridine

4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyridine (PubChem CID 155775338) has the molecular formula C19H14F3N and a molecular weight of 313.32 g/mol. Its IUPAC name is 4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyridine
PubChem CID155775338
Molecular FormulaC19H14F3N
Molecular Weight313.32 g/mol
Exact Mass313.11
IUPAC Name4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyridine
SMILESCc1cccc(-c2cc(-c3ccccc3)nc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H14F3N/c1-13-6-5-9-15(10-13)16-11-17(14-7-3-2-4-8-14)23-18(12-16)19(20,21)22/h2-12H,1H3
InChIKeyKWPSFFZDKAXCRC-UHFFFAOYSA-N
XLogP5.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.32
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;4-(3-methylphenyl)-2,6-diphenylpyridine
CID 144632055
4-[3,5-bis(3-methylphenyl)phenyl]-2,6-diphenylpyridine;4-[3-(3-methylphenyl)-5-(4-methylphenyl)phenyl]-2,6-diphenylpyridine
CID 91503423
2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 121315996
4-(4-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 100981573
4-(3,5-dimethylphenyl)-2,6-diphenylpyridine
CID 132529641
4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 91926916
2,6-bis(3-methylphenyl)-4-[4-(3-phenylphenyl)phenyl]pyridine;2,6-bis(3-methylphenyl)-4-(4-phenylphenyl)pyridine;4-[4-(3,5-diphenylphenyl)phenyl]-2,6-bis(3-methylphenyl)pyridine
CID 157407374
4-[3-(3,5-dimethylphenyl)phenyl]-2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-6-phenylpyrimidine
CID 59552862
ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine
CID 144569166
2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine
CID 163288516
2-(4-methylphenyl)-4,6-diphenylpyrimidine;4-(4-methylphenyl)-2,6-diphenylpyrimidine;2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyridine;4-[3-(3-methylphenyl)phenyl]-2,6-diphenylpyridine;2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine;4-[3-(3-methylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 159145948
[4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 91926179

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyridine?
The IUPAC name of 4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyridine (CID 155775338) is 4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyridine is Cc1cccc(-c2cc(-c3ccccc3)nc(C(F)(F)F)c2)c1.
What is the InChIKey of 4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyridine?
The InChIKey is KWPSFFZDKAXCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N/c1-13-6-5-9-15(10-13)16-11-17(14-7-3-2-4-8-14)23-18(12-16)19(20,21)22/h2-12H,1H3.
What are the key properties of 4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyridine?
4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyridine has a molecular weight of 313.32 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 155775338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).