4-[(5-methyl-3-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile

C15H11F3N2O — CID 102881178

IUPAC4-[(5-methyl-3-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile
SMILESCc1cncc(COc2ccc(C#N)cc2C(F)(F)F)c1
InChIInChI=1S/C15H11F3N2O/c1-10-4-12(8-20-7-10)9-21-14-3-2-11(6-19)5-13(14)15(16,17)18/h2-5,7-8H,9H2,1H3
InChIKeyDXEQBBZSVCSOBU-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.86
Rot. Bonds3

About 4-[(5-methyl-3-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile

4-[(5-methyl-3-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile (PubChem CID 102881178) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-[(5-methyl-3-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-[(5-methyl-3-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile
PubChem CID102881178
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name4-[(5-methyl-3-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile
SMILESCc1cncc(COc2ccc(C#N)cc2C(F)(F)F)c1
InChIInChI=1S/C15H11F3N2O/c1-10-4-12(8-20-7-10)9-21-14-3-2-11(6-19)5-13(14)15(16,17)18/h2-5,7-8H,9H2,1H3
InChIKeyDXEQBBZSVCSOBU-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzonitrile
CID 102881171
4-[(4-hydroxyphenyl)methoxy]-3-(trifluoromethyl)benzonitrile
CID 115467793
4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-3-(trifluoromethyl)benzonitrile
CID 115467910
4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-(trifluoromethyl)benzonitrile
CID 115467823
4-(2-bromoethoxy)-3-(trifluoromethyl)benzonitrile
CID 115467673
4-[2-(methylamino)ethoxy]-3-(trifluoromethyl)benzonitrile
CID 113315524
4-[(5-bromo-3-pyridinyl)methoxy]-3-ethoxybenzonitrile
CID 115580571
4-(5-aminopyrimidin-4-yl)oxy-3-(trifluoromethyl)benzonitrile
CID 115467627
4-[(6-amino-2-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile
CID 115468338
3-[3-methyl-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol
CID 102878082
4-(3-bromopropoxy)-3-(trifluoromethyl)benzonitrile
CID 115467663
(1R)-1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102881645

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-3-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-[(5-methyl-3-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile (CID 102881178) is 4-[(5-methyl-3-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-[(5-methyl-3-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-[(5-methyl-3-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile is Cc1cncc(COc2ccc(C#N)cc2C(F)(F)F)c1.
What is the InChIKey of 4-[(5-methyl-3-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile?
The InChIKey is DXEQBBZSVCSOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c1-10-4-12(8-20-7-10)9-21-14-3-2-11(6-19)5-13(14)15(16,17)18/h2-5,7-8H,9H2,1H3.
What are the key properties of 4-[(5-methyl-3-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile?
4-[(5-methyl-3-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile has a molecular weight of 292.26 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-3-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 102881178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).