2-(2-phenyl-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbonitrile

C24H14F3N3O — CID 162410583

IUPAC2-(2-phenyl-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbonitrile
SMILESN#Cc1cc(-c2ccnc(-c3ccccc3)c2)ncc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H14F3N3O/c25-24(26,27)31-20-8-6-16(7-9-20)21-15-30-23(13-19(21)14-28)18-10-11-29-22(12-18)17-4-2-1-3-5-17/h1-13,15H
InChIKeyPDXAATATGDWKMA-UHFFFAOYSA-N
MW417.39 g/mol
LogP6.25
Rot. Bonds4

About 2-(2-phenyl-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbonitrile

2-(2-phenyl-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbonitrile (PubChem CID 162410583) has the molecular formula C24H14F3N3O and a molecular weight of 417.39 g/mol. Its IUPAC name is 2-(2-phenyl-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-phenyl-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbonitrile
PubChem CID162410583
Molecular FormulaC24H14F3N3O
Molecular Weight417.39 g/mol
Exact Mass417.11
IUPAC Name2-(2-phenyl-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbonitrile
SMILESN#Cc1cc(-c2ccnc(-c3ccccc3)c2)ncc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H14F3N3O/c25-24(26,27)31-20-8-6-16(7-9-20)21-15-30-23(13-19(21)14-28)18-10-11-29-22(12-18)17-4-2-1-3-5-17/h1-13,15H
InChIKeyPDXAATATGDWKMA-UHFFFAOYSA-N
XLogP6.25
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.39
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[4-[(R)-(3-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]propoxy]benzonitrile
CID 71777738
US10155760, Example 36
CID 118420147
6-(4-Heptoxyphenyl)-3-pyridinecarbonitrile
CID 3126290
4-(4-Methoxyphenyl)-2-methylpyridine
CID 23371780
3-Methoxy-5-(1,6-naphthyridin-7-yl)benzonitrile
CID 44434727
3-Methoxy-5-(1,5-naphthyridin-3-yl)benzonitrile
CID 44434733
3-(4-((8-(3-(Difluoromethoxy)phenyl)quinolin-6-yl)methoxy)phenyl)propanenitrile
CID 49865643
2-(2-Fluorophenyl)-5-[(5-methoxy-3-pyridinyl)methyl]pyridine
CID 145981780
4-[4-[3-(4-Pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]benzonitrile
CID 162645254
1-[3-[4-(4-Fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine
CID 162662563
2-Amino-6-(4-methoxyphenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile
CID 934596
2-Amino-4-(3-methoxyphenyl)-6-pyridin-3-ylpyridine-3-carbonitrile
CID 938228

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbonitrile?
The IUPAC name of 2-(2-phenyl-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbonitrile (CID 162410583) is 2-(2-phenyl-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-phenyl-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-(2-phenyl-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbonitrile is N#Cc1cc(-c2ccnc(-c3ccccc3)c2)ncc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(2-phenyl-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbonitrile?
The InChIKey is PDXAATATGDWKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F3N3O/c25-24(26,27)31-20-8-6-16(7-9-20)21-15-30-23(13-19(21)14-28)18-10-11-29-22(12-18)17-4-2-1-3-5-17/h1-13,15H.
What are the key properties of 2-(2-phenyl-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbonitrile?
2-(2-phenyl-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbonitrile has a molecular weight of 417.39 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbonitrile is sourced from PubChem (CID 162410583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).