(3-chlorophenoxy)-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]diazene

C16H11ClF3N5O2 — CID 91432864

IUPAC(3-chlorophenoxy)-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]diazene
SMILESCn1nc(C(F)(F)F)cc1Oc1cccc(/N=N/Oc2cccc(Cl)c2)n1
InChIInChI=1S/C16H11ClF3N5O2/c1-25-15(9-12(23-25)16(18,19)20)26-14-7-3-6-13(21-14)22-24-27-11-5-2-4-10(17)8-11/h2-9H,1H3/b24-22+
InChIKeyGFGVQAZQQJXQDA-ZNTNEXAZSA-N
MW397.74 g/mol
LogP5.36
Rot. Bonds5

About (3-chlorophenoxy)-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]diazene

(3-chlorophenoxy)-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]diazene (PubChem CID 91432864) has the molecular formula C16H11ClF3N5O2 and a molecular weight of 397.74 g/mol. Its IUPAC name is (3-chlorophenoxy)-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]diazene.

Molecular Properties

Compound Name(3-chlorophenoxy)-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]diazene
PubChem CID91432864
Molecular FormulaC16H11ClF3N5O2
Molecular Weight397.74 g/mol
Exact Mass397.06
IUPAC Name(3-chlorophenoxy)-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]diazene
SMILESCn1nc(C(F)(F)F)cc1Oc1cccc(/N=N/Oc2cccc(Cl)c2)n1
InChIInChI=1S/C16H11ClF3N5O2/c1-25-15(9-12(23-25)16(18,19)20)26-14-7-3-6-13(21-14)22-24-27-11-5-2-4-10(17)8-11/h2-9H,1H3/b24-22+
InChIKeyGFGVQAZQQJXQDA-ZNTNEXAZSA-N
XLogP5.36
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.74
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenoxy)-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]diazene?
The IUPAC name of (3-chlorophenoxy)-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]diazene (CID 91432864) is (3-chlorophenoxy)-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]diazene.
What is the SMILES notation for (3-chlorophenoxy)-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]diazene?
The canonical SMILES for (3-chlorophenoxy)-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]diazene is Cn1nc(C(F)(F)F)cc1Oc1cccc(/N=N/Oc2cccc(Cl)c2)n1.
What is the InChIKey of (3-chlorophenoxy)-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]diazene?
The InChIKey is GFGVQAZQQJXQDA-ZNTNEXAZSA-N. The full InChI is InChI=1S/C16H11ClF3N5O2/c1-25-15(9-12(23-25)16(18,19)20)26-14-7-3-6-13(21-14)22-24-27-11-5-2-4-10(17)8-11/h2-9H,1H3/b24-22+.
What are the key properties of (3-chlorophenoxy)-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]diazene?
(3-chlorophenoxy)-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]diazene has a molecular weight of 397.74 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenoxy)-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]diazene is sourced from PubChem (CID 91432864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).