2-(4-azido-2-chlorophenoxy)-6-(trifluoromethyl)pyridine

C12H6ClF3N4O — CID 169325092

IUPAC2-(4-azido-2-chlorophenoxy)-6-(trifluoromethyl)pyridine
SMILES[N-]=[N+]=Nc1ccc(Oc2cccc(C(F)(F)F)n2)c(Cl)c1
InChIInChI=1S/C12H6ClF3N4O/c13-8-6-7(19-20-17)4-5-9(8)21-11-3-1-2-10(18-11)12(14,15)16/h1-6H
InChIKeyCXURBQZUMVDJAN-UHFFFAOYSA-N
MW314.65 g/mol
LogP5.49
Rot. Bonds3

About 2-(4-azido-2-chlorophenoxy)-6-(trifluoromethyl)pyridine

2-(4-azido-2-chlorophenoxy)-6-(trifluoromethyl)pyridine (PubChem CID 169325092) has the molecular formula C12H6ClF3N4O and a molecular weight of 314.65 g/mol. Its IUPAC name is 2-(4-azido-2-chlorophenoxy)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-azido-2-chlorophenoxy)-6-(trifluoromethyl)pyridine
PubChem CID169325092
Molecular FormulaC12H6ClF3N4O
Molecular Weight314.65 g/mol
Exact Mass314.02
IUPAC Name2-(4-azido-2-chlorophenoxy)-6-(trifluoromethyl)pyridine
SMILES[N-]=[N+]=Nc1ccc(Oc2cccc(C(F)(F)F)n2)c(Cl)c1
InChIInChI=1S/C12H6ClF3N4O/c13-8-6-7(19-20-17)4-5-9(8)21-11-3-1-2-10(18-11)12(14,15)16/h1-6H
InChIKeyCXURBQZUMVDJAN-UHFFFAOYSA-N
XLogP5.49
TPSA70.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.65
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-azido-2-chlorophenoxy)-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-azido-2-chlorophenoxy)-6-(trifluoromethyl)pyridine (CID 169325092) is 2-(4-azido-2-chlorophenoxy)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-azido-2-chlorophenoxy)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-azido-2-chlorophenoxy)-6-(trifluoromethyl)pyridine is [N-]=[N+]=Nc1ccc(Oc2cccc(C(F)(F)F)n2)c(Cl)c1.
What is the InChIKey of 2-(4-azido-2-chlorophenoxy)-6-(trifluoromethyl)pyridine?
The InChIKey is CXURBQZUMVDJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3N4O/c13-8-6-7(19-20-17)4-5-9(8)21-11-3-1-2-10(18-11)12(14,15)16/h1-6H.
What are the key properties of 2-(4-azido-2-chlorophenoxy)-6-(trifluoromethyl)pyridine?
2-(4-azido-2-chlorophenoxy)-6-(trifluoromethyl)pyridine has a molecular weight of 314.65 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-azido-2-chlorophenoxy)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 169325092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).