3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]-1H-indol-2-ol

C14H9F3N4O — CID 2866330

IUPAC3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/N=N/c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H9F3N4O/c15-14(16,17)8-5-6-11(18-7-8)20-21-12-9-3-1-2-4-10(9)19-13(12)22/h1-7,19,22H/b21-20+
InChIKeyWVEQWVOAKZWPSP-QZQOTICOSA-N
MW306.25 g/mol
LogP4.70
Rot. Bonds2

About 3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]-1H-indol-2-ol

3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]-1H-indol-2-ol (PubChem CID 2866330) has the molecular formula C14H9F3N4O and a molecular weight of 306.25 g/mol. Its IUPAC name is 3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]-1H-indol-2-ol
PubChem CID2866330
Molecular FormulaC14H9F3N4O
Molecular Weight306.25 g/mol
Exact Mass306.07
IUPAC Name3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/N=N/c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H9F3N4O/c15-14(16,17)8-5-6-11(18-7-8)20-21-12-9-3-1-2-4-10(9)19-13(12)22/h1-7,19,22H/b21-20+
InChIKeyWVEQWVOAKZWPSP-QZQOTICOSA-N
XLogP4.70
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]-1H-indol-2-ol?
The IUPAC name of 3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]-1H-indol-2-ol (CID 2866330) is 3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]-1H-indol-2-ol?
The canonical SMILES for 3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]-1H-indol-2-ol is Oc1[nH]c2ccccc2c1/N=N/c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]-1H-indol-2-ol?
The InChIKey is WVEQWVOAKZWPSP-QZQOTICOSA-N. The full InChI is InChI=1S/C14H9F3N4O/c15-14(16,17)8-5-6-11(18-7-8)20-21-12-9-3-1-2-4-10(9)19-13(12)22/h1-7,19,22H/b21-20+.
What are the key properties of 3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]-1H-indol-2-ol?
3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]-1H-indol-2-ol has a molecular weight of 306.25 g/mol, XLogP of 4.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]-1H-indol-2-ol is sourced from PubChem (CID 2866330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).