(1-benzyl-3,4-dihydro-2H-pyridin-5-yl)-[4-chloro-3-(trifluoromethyl)phenyl]diazene

C19H17ClF3N3 — CID 44579137

IUPAC(1-benzyl-3,4-dihydro-2H-pyridin-5-yl)-[4-chloro-3-(trifluoromethyl)phenyl]diazene
SMILESFC(F)(F)c1cc(/N=N/C2=CN(Cc3ccccc3)CCC2)ccc1Cl
InChIInChI=1S/C19H17ClF3N3/c20-18-9-8-15(11-17(18)19(21,22)23)24-25-16-7-4-10-26(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13H,4,7,10,12H2/b25-24+
InChIKeyIONSCDXOGZLRJW-OCOZRVBESA-N
MW379.81 g/mol
LogP6.58
Rot. Bonds4

About (1-benzyl-3,4-dihydro-2H-pyridin-5-yl)-[4-chloro-3-(trifluoromethyl)phenyl]diazene

(1-benzyl-3,4-dihydro-2H-pyridin-5-yl)-[4-chloro-3-(trifluoromethyl)phenyl]diazene (PubChem CID 44579137) has the molecular formula C19H17ClF3N3 and a molecular weight of 379.81 g/mol. Its IUPAC name is (1-benzyl-3,4-dihydro-2H-pyridin-5-yl)-[4-chloro-3-(trifluoromethyl)phenyl]diazene.

Molecular Properties

Compound Name(1-benzyl-3,4-dihydro-2H-pyridin-5-yl)-[4-chloro-3-(trifluoromethyl)phenyl]diazene
PubChem CID44579137
Molecular FormulaC19H17ClF3N3
Molecular Weight379.81 g/mol
Exact Mass379.11
IUPAC Name(1-benzyl-3,4-dihydro-2H-pyridin-5-yl)-[4-chloro-3-(trifluoromethyl)phenyl]diazene
SMILESFC(F)(F)c1cc(/N=N/C2=CN(Cc3ccccc3)CCC2)ccc1Cl
InChIInChI=1S/C19H17ClF3N3/c20-18-9-8-15(11-17(18)19(21,22)23)24-25-16-7-4-10-26(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13H,4,7,10,12H2/b25-24+
InChIKeyIONSCDXOGZLRJW-OCOZRVBESA-N
XLogP6.58
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.81
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1-(4-Chlorophenyl)-4-(4-fluorobenzyl)piperazine
CID 2838239
1-(4-Chlorophenyl)-4-(2-fluorobenzyl)piperazine
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1-(2-Chlorobenzyl)-4-(4-chlorophenyl)piperazine
CID 764693
1-(4-Chlorophenyl)-4-(3-fluorobenzyl)piperazine
CID 2838479
1-(4-Chlorophenyl)-4-[(2,6-difluorophenyl)methyl]piperazine
CID 756823
8-(4-Chloro-3-trifluoromethylphenylazo)-1,2,3,5,6,7-hexahydroindolizine
CID 44578999
Cambridge id 5262451
CID 763409
Cambridge id 5427723
CID 783166
[4-chloro-3-(trifluoromethyl)phenyl]-(3,4,6,7,8,9-hexahydro-2H-quinolizin-1-yl)diazene
CID 15633482
[4-chloro-3-(trifluoromethyl)phenyl]-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)diazene
CID 44579096
1-Benzyl-2-(4-chlorophenylazo)methylenepyrrolidine
CID 44579240
1-Benzyl-2-(4-chloro-3-trifluoromethylphenylazo)-methylenepyrrolidine
CID 44579242

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3,4-dihydro-2H-pyridin-5-yl)-[4-chloro-3-(trifluoromethyl)phenyl]diazene?
The IUPAC name of (1-benzyl-3,4-dihydro-2H-pyridin-5-yl)-[4-chloro-3-(trifluoromethyl)phenyl]diazene (CID 44579137) is (1-benzyl-3,4-dihydro-2H-pyridin-5-yl)-[4-chloro-3-(trifluoromethyl)phenyl]diazene.
What is the SMILES notation for (1-benzyl-3,4-dihydro-2H-pyridin-5-yl)-[4-chloro-3-(trifluoromethyl)phenyl]diazene?
The canonical SMILES for (1-benzyl-3,4-dihydro-2H-pyridin-5-yl)-[4-chloro-3-(trifluoromethyl)phenyl]diazene is FC(F)(F)c1cc(/N=N/C2=CN(Cc3ccccc3)CCC2)ccc1Cl.
What is the InChIKey of (1-benzyl-3,4-dihydro-2H-pyridin-5-yl)-[4-chloro-3-(trifluoromethyl)phenyl]diazene?
The InChIKey is IONSCDXOGZLRJW-OCOZRVBESA-N. The full InChI is InChI=1S/C19H17ClF3N3/c20-18-9-8-15(11-17(18)19(21,22)23)24-25-16-7-4-10-26(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13H,4,7,10,12H2/b25-24+.
What are the key properties of (1-benzyl-3,4-dihydro-2H-pyridin-5-yl)-[4-chloro-3-(trifluoromethyl)phenyl]diazene?
(1-benzyl-3,4-dihydro-2H-pyridin-5-yl)-[4-chloro-3-(trifluoromethyl)phenyl]diazene has a molecular weight of 379.81 g/mol, XLogP of 6.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3,4-dihydro-2H-pyridin-5-yl)-[4-chloro-3-(trifluoromethyl)phenyl]diazene is sourced from PubChem (CID 44579137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).