4-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]benzonitrile

C15H12F3N3 — CID 82795079

IUPAC4-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]benzonitrile
SMILESCC(Nc1ccc(C(F)(F)F)nc1)c1ccc(C#N)cc1
InChIInChI=1S/C15H12F3N3/c1-10(12-4-2-11(8-19)3-5-12)21-13-6-7-14(20-9-13)15(16,17)18/h2-7,9-10,21H,1H3
InChIKeyZFOFGWPOEBBLRV-UHFFFAOYSA-N
MW291.28 g/mol
LogP4.15
Rot. Bonds3

About 4-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]benzonitrile

4-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]benzonitrile (PubChem CID 82795079) has the molecular formula C15H12F3N3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 4-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]benzonitrile
PubChem CID82795079
Molecular FormulaC15H12F3N3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name4-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]benzonitrile
SMILESCC(Nc1ccc(C(F)(F)F)nc1)c1ccc(C#N)cc1
InChIInChI=1S/C15H12F3N3/c1-10(12-4-2-11(8-19)3-5-12)21-13-6-7-14(20-9-13)15(16,17)18/h2-7,9-10,21H,1H3
InChIKeyZFOFGWPOEBBLRV-UHFFFAOYSA-N
XLogP4.15
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-iodophenyl)ethyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82812139
N-(1-pyridin-4-ylethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 82812363
4-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile
CID 43690575
4-[1-(4-cyanoanilino)ethyl]benzonitrile
CID 43195294
4-[1-[(6-tert-butylsulfonyl-3-pyridinyl)amino]ethyl]benzonitrile
CID 133373799
4-[1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]benzonitrile
CID 138043177
4-[1-(4-aminophenyl)ethylamino]benzonitrile
CID 60869452
4-[1-(1H-pyrazol-4-ylamino)ethyl]benzonitrile
CID 43540037
6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93318179
4-[1-(3,5-dimethoxyanilino)ethyl]benzonitrile
CID 43192810
3-[[6-(trifluoromethyl)-3-pyridinyl]amino]benzonitrile
CID 102817081
4-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]benzonitrile
CID 107304750

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]benzonitrile?
The IUPAC name of 4-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]benzonitrile (CID 82795079) is 4-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]benzonitrile is CC(Nc1ccc(C(F)(F)F)nc1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]benzonitrile?
The InChIKey is ZFOFGWPOEBBLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3/c1-10(12-4-2-11(8-19)3-5-12)21-13-6-7-14(20-9-13)15(16,17)18/h2-7,9-10,21H,1H3.
What are the key properties of 4-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]benzonitrile?
4-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]benzonitrile has a molecular weight of 291.28 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]benzonitrile is sourced from PubChem (CID 82795079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).