2-(4-methoxyphenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

C19H12F3N3O — CID 10832025

IUPAC2-(4-methoxyphenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2nc(-c3ccccn3)cc(C(F)(F)F)c2C#N)cc1
InChIInChI=1S/C19H12F3N3O/c1-26-13-7-5-12(6-8-13)18-14(11-23)15(19(20,21)22)10-17(25-18)16-4-2-3-9-24-16/h2-10H,1H3
InChIKeyHEZVNFBIOQETMY-UHFFFAOYSA-N
MW355.32 g/mol
LogP4.71
Rot. Bonds3

About 2-(4-methoxyphenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

2-(4-methoxyphenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 10832025) has the molecular formula C19H12F3N3O and a molecular weight of 355.32 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID10832025
Molecular FormulaC19H12F3N3O
Molecular Weight355.32 g/mol
Exact Mass355.09
IUPAC Name2-(4-methoxyphenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2nc(-c3ccccn3)cc(C(F)(F)F)c2C#N)cc1
InChIInChI=1S/C19H12F3N3O/c1-26-13-7-5-12(6-8-13)18-14(11-23)15(19(20,21)22)10-17(25-18)16-4-2-3-9-24-16/h2-10H,1H3
InChIKeyHEZVNFBIOQETMY-UHFFFAOYSA-N
XLogP4.71
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-Methoxy-3-pyridin-4-yl-quinoline
CID 11776270
Pyridine, 2-(4-ethoxyphenyl)-5-pentyl-
CID 3126242
6-(4-Heptoxyphenyl)-3-pyridinecarbonitrile
CID 3126290
4-(4-Fluorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile
CID 789665
4-(4-Methoxyphenyl)-2-methylpyridine
CID 23371780
3-Methoxy-5-(1,5-naphthyridin-3-yl)benzonitrile
CID 44434733
6-{4-[3-(4-Methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile
CID 46238539
2-(2-Fluorophenyl)-5-[(5-methoxy-3-pyridinyl)methyl]pyridine
CID 145981780
2-Amino-6-(4-methoxyphenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile
CID 934596
2-(4-Methoxyphenyl)-5-pentylpyridine
CID 2058335
3-(4-Methoxyphenyl)isoquinoline
CID 2752930
2-Methoxy-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 2768879

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(4-methoxyphenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 10832025) is 2-(4-methoxyphenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-methoxyphenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is COc1ccc(-c2nc(-c3ccccn3)cc(C(F)(F)F)c2C#N)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is HEZVNFBIOQETMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O/c1-26-13-7-5-12(6-8-13)18-14(11-23)15(19(20,21)22)10-17(25-18)16-4-2-3-9-24-16/h2-10H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-(4-methoxyphenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 355.32 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 10832025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).