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

C13H13ClF3N3 — CID 44579096

IUPAC[4-chloro-3-(trifluoromethyl)phenyl]-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)diazene
SMILESCN1C=C(/N=N/c2ccc(Cl)c(C(F)(F)F)c2)CCC1
InChIInChI=1S/C13H13ClF3N3/c1-20-6-2-3-10(8-20)19-18-9-4-5-12(14)11(7-9)13(15,16)17/h4-5,7-8H,2-3,6H2,1H3/b19-18+
InChIKeyCWMNDQNJWQDECS-VHEBQXMUSA-N
MW303.72 g/mol
LogP5.01
Rot. Bonds2

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

[4-chloro-3-(trifluoromethyl)phenyl]-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)diazene (PubChem CID 44579096) has the molecular formula C13H13ClF3N3 and a molecular weight of 303.72 g/mol. Its IUPAC name is [4-chloro-3-(trifluoromethyl)phenyl]-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)diazene.

Molecular Properties

Compound Name[4-chloro-3-(trifluoromethyl)phenyl]-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)diazene
PubChem CID44579096
Molecular FormulaC13H13ClF3N3
Molecular Weight303.72 g/mol
Exact Mass303.08
IUPAC Name[4-chloro-3-(trifluoromethyl)phenyl]-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)diazene
SMILESCN1C=C(/N=N/c2ccc(Cl)c(C(F)(F)F)c2)CCC1
InChIInChI=1S/C13H13ClF3N3/c1-20-6-2-3-10(8-20)19-18-9-4-5-12(14)11(7-9)13(15,16)17/h4-5,7-8H,2-3,6H2,1H3/b19-18+
InChIKeyCWMNDQNJWQDECS-VHEBQXMUSA-N
XLogP5.01
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.72
LogP ≤ 55.01
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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Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(trifluoromethyl)phenyl]-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)diazene?
The IUPAC name of [4-chloro-3-(trifluoromethyl)phenyl]-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)diazene (CID 44579096) is [4-chloro-3-(trifluoromethyl)phenyl]-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)diazene.
What is the SMILES notation for [4-chloro-3-(trifluoromethyl)phenyl]-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)diazene?
The canonical SMILES for [4-chloro-3-(trifluoromethyl)phenyl]-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)diazene is CN1C=C(/N=N/c2ccc(Cl)c(C(F)(F)F)c2)CCC1.
What is the InChIKey of [4-chloro-3-(trifluoromethyl)phenyl]-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)diazene?
The InChIKey is CWMNDQNJWQDECS-VHEBQXMUSA-N. The full InChI is InChI=1S/C13H13ClF3N3/c1-20-6-2-3-10(8-20)19-18-9-4-5-12(14)11(7-9)13(15,16)17/h4-5,7-8H,2-3,6H2,1H3/b19-18+.
What are the key properties of [4-chloro-3-(trifluoromethyl)phenyl]-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)diazene?
[4-chloro-3-(trifluoromethyl)phenyl]-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)diazene has a molecular weight of 303.72 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(trifluoromethyl)phenyl]-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)diazene is sourced from PubChem (CID 44579096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).