4-(pyridin-2-yldiazenyl)benzene-1,3-diol;titanium(4+)

C11H9N3O2Ti+4 — CID 158518155

IUPAC4-(pyridin-2-yldiazenyl)benzene-1,3-diol;titanium(4+)
SMILESOc1ccc(/N=N/c2ccccn2)c(O)c1.[Ti+4]
InChIInChI=1S/C11H9N3O2.Ti/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11;/h1-7,15-16H;/q;+4/b14-13+;
InChIKeyHLWPHPLRQAEUMH-IERUDJENSA-N
MW263.08 g/mol
LogP2.91
Rot. Bonds2

About 4-(pyridin-2-yldiazenyl)benzene-1,3-diol;titanium(4+)

4-(pyridin-2-yldiazenyl)benzene-1,3-diol;titanium(4+) (PubChem CID 158518155) has the molecular formula C11H9N3O2Ti+4 and a molecular weight of 263.08 g/mol. Its IUPAC name is 4-(pyridin-2-yldiazenyl)benzene-1,3-diol;titanium(4+).

Molecular Properties

Compound Name4-(pyridin-2-yldiazenyl)benzene-1,3-diol;titanium(4+)
PubChem CID158518155
Molecular FormulaC11H9N3O2Ti+4
Molecular Weight263.08 g/mol
Exact Mass263.02
IUPAC Name4-(pyridin-2-yldiazenyl)benzene-1,3-diol;titanium(4+)
SMILESOc1ccc(/N=N/c2ccccn2)c(O)c1.[Ti+4]
InChIInChI=1S/C11H9N3O2.Ti/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11;/h1-7,15-16H;/q;+4/b14-13+;
InChIKeyHLWPHPLRQAEUMH-IERUDJENSA-N
XLogP2.91
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-(dimethylamino)-2-[(5-methyl-2-pyridinyl)diazenyl]phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol
CID 158043650
dipyridin-2-yldiazene;osmium
CID 173074203
4-(pyridin-3-yldiazenyl)benzene-1,3-diol
CID 611991
disodium;4-(pyridin-2-yldiazenyl)benzene-1,3-diolate;dihydrate
CID 2735125
5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate
CID 172638148
2-[(pyridin-2-yldiazenyl)methyl]phenol
CID 54462661
4-[(5-bromo-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol
CID 136759465
ethane;10-(pyridin-2-yldiazenyl)phenanthren-9-ol
CID 136657550
4-[[2-pyridin-2-yl-1-(pyridin-2-ylmethyl)benzimidazol-5-yl]diazenyl]benzene-1,3-diol
CID 146350331
(2-ethoxyphenyl)-pyridin-2-yldiazene
CID 122538186
(2,6-dichlorophenyl)-pyridin-2-yldiazene
CID 102225413
4-[(pyridin-2-yldiazenyl)methyl]benzene-1,2,3-triol
CID 91935009

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-yldiazenyl)benzene-1,3-diol;titanium(4+)?
The IUPAC name of 4-(pyridin-2-yldiazenyl)benzene-1,3-diol;titanium(4+) (CID 158518155) is 4-(pyridin-2-yldiazenyl)benzene-1,3-diol;titanium(4+).
What is the SMILES notation for 4-(pyridin-2-yldiazenyl)benzene-1,3-diol;titanium(4+)?
The canonical SMILES for 4-(pyridin-2-yldiazenyl)benzene-1,3-diol;titanium(4+) is Oc1ccc(/N=N/c2ccccn2)c(O)c1.[Ti+4].
What is the InChIKey of 4-(pyridin-2-yldiazenyl)benzene-1,3-diol;titanium(4+)?
The InChIKey is HLWPHPLRQAEUMH-IERUDJENSA-N. The full InChI is InChI=1S/C11H9N3O2.Ti/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11;/h1-7,15-16H;/q;+4/b14-13+;.
What are the key properties of 4-(pyridin-2-yldiazenyl)benzene-1,3-diol;titanium(4+)?
4-(pyridin-2-yldiazenyl)benzene-1,3-diol;titanium(4+) has a molecular weight of 263.08 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-yldiazenyl)benzene-1,3-diol;titanium(4+) is sourced from PubChem (CID 158518155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).