2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

C15H11F3N2O — CID 15587567

IUPAC2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCOc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C15H11F3N2O/c1-2-21-14-11(9-19)12(15(16,17)18)8-13(20-14)10-6-4-3-5-7-10/h3-8H,2H2,1H3
InChIKeyPWNBBQNJLORRDB-UHFFFAOYSA-N
MW292.26 g/mol
LogP4.04
Rot. Bonds3

About 2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 15587567) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID15587567
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCOc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C15H11F3N2O/c1-2-21-14-11(9-19)12(15(16,17)18)8-13(20-14)10-6-4-3-5-7-10/h3-8H,2H2,1H3
InChIKeyPWNBBQNJLORRDB-UHFFFAOYSA-N
XLogP4.04
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methoxy-4,6-diphenylpyridine-3-carbonitrile
CID 678565
2-Methoxy-6-methylnicotinonitrile
CID 5323803
2-(3-Chloro-benzyloxy)-6-methyl-isonicotinonitrile
CID 15949470
4-(Methoxymethyl)-6-methyl-2-phenoxypyridine-3-carbonitrile
CID 709284
6-(4-Heptoxyphenyl)-3-pyridinecarbonitrile
CID 3126290
4-(4-Chlorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile
CID 678564
4-(4-Fluorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile
CID 789665
4,6-Dimethyl-2-phenoxy-nicotinonitrile
CID 946983
2-Methoxy-4,6-dimethylnicotinonitrile
CID 595276
6-{4-[3-(4-Methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile
CID 46238539
6-[(3-Chlorophenyl)methoxy]-4-methylpyridine-2-carbonitrile
CID 73755216
2-(4-Fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 723818

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 15587567) is 2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is CCOc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N.
What is the InChIKey of 2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is PWNBBQNJLORRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c1-2-21-14-11(9-19)12(15(16,17)18)8-13(20-14)10-6-4-3-5-7-10/h3-8H,2H2,1H3.
What are the key properties of 2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 292.26 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 15587567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).