3-[[6-(trifluoromethyl)-3-pyridinyl]amino]benzonitrile

C13H8F3N3 — CID 102817081

IUPAC3-[[6-(trifluoromethyl)-3-pyridinyl]amino]benzonitrile
SMILESN#Cc1cccc(Nc2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C13H8F3N3/c14-13(15,16)12-5-4-11(8-18-12)19-10-3-1-2-9(6-10)7-17/h1-6,8,19H
InChIKeyNASJFNRXPHICLA-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.72
Rot. Bonds2

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

3-[[6-(trifluoromethyl)-3-pyridinyl]amino]benzonitrile (PubChem CID 102817081) has the molecular formula C13H8F3N3 and a molecular weight of 263.22 g/mol. Its IUPAC name is 3-[[6-(trifluoromethyl)-3-pyridinyl]amino]benzonitrile.

Molecular Properties

Compound Name3-[[6-(trifluoromethyl)-3-pyridinyl]amino]benzonitrile
PubChem CID102817081
Molecular FormulaC13H8F3N3
Molecular Weight263.22 g/mol
Exact Mass263.07
IUPAC Name3-[[6-(trifluoromethyl)-3-pyridinyl]amino]benzonitrile
SMILESN#Cc1cccc(Nc2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C13H8F3N3/c14-13(15,16)12-5-4-11(8-18-12)19-10-3-1-2-9(6-10)7-17/h1-6,8,19H
InChIKeyNASJFNRXPHICLA-UHFFFAOYSA-N
XLogP3.72
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile
CID 114563663
tert-butyl N-[5-(3-cyanoanilino)-2-pyridinyl]carbamate
CID 113037201
1-[5-(3-cyanoanilino)-2-pyridinyl]-3-phenylurea
CID 113037197
N-[4-(3-cyanoanilino)phenyl]-4-fluorobenzenesulfonamide
CID 112989988
3-[[2-(3-methoxyanilino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile
CID 44525752
4-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]benzonitrile
CID 82795079
5-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109198246
5-(3-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109197351
3-[[6-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109196849
3-[[6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzonitrile
CID 112866576
3-[(5-methyl-3-pyridinyl)amino]benzonitrile
CID 71051336
3-[2-amino-4-(trifluoromethyl)anilino]benzonitrile
CID 43148749

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(trifluoromethyl)-3-pyridinyl]amino]benzonitrile?
The IUPAC name of 3-[[6-(trifluoromethyl)-3-pyridinyl]amino]benzonitrile (CID 102817081) is 3-[[6-(trifluoromethyl)-3-pyridinyl]amino]benzonitrile.
What is the SMILES notation for 3-[[6-(trifluoromethyl)-3-pyridinyl]amino]benzonitrile?
The canonical SMILES for 3-[[6-(trifluoromethyl)-3-pyridinyl]amino]benzonitrile is N#Cc1cccc(Nc2ccc(C(F)(F)F)nc2)c1.
What is the InChIKey of 3-[[6-(trifluoromethyl)-3-pyridinyl]amino]benzonitrile?
The InChIKey is NASJFNRXPHICLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3/c14-13(15,16)12-5-4-11(8-18-12)19-10-3-1-2-9(6-10)7-17/h1-6,8,19H.
What are the key properties of 3-[[6-(trifluoromethyl)-3-pyridinyl]amino]benzonitrile?
3-[[6-(trifluoromethyl)-3-pyridinyl]amino]benzonitrile has a molecular weight of 263.22 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(trifluoromethyl)-3-pyridinyl]amino]benzonitrile is sourced from PubChem (CID 102817081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).