5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate

C13H13N4O- — CID 172638148

IUPAC5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate
SMILESCN(C)c1ccc(/N=N/c2ccccn2)c([O-])c1
InChIInChI=1S/C13H14N4O/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13/h3-9,18H,1-2H3/p-1/b16-15+
InChIKeyRBYWVGOQLYTZCK-FOCLMDBBSA-M
MW241.27 g/mol
LogP2.64
Rot. Bonds3

About 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate

5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate (PubChem CID 172638148) has the molecular formula C13H13N4O- and a molecular weight of 241.27 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate.

Molecular Properties

Compound Name5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate
PubChem CID172638148
Molecular FormulaC13H13N4O-
Molecular Weight241.27 g/mol
Exact Mass241.11
IUPAC Name5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate
SMILESCN(C)c1ccc(/N=N/c2ccccn2)c([O-])c1
InChIInChI=1S/C13H14N4O/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13/h3-9,18H,1-2H3/p-1/b16-15+
InChIKeyRBYWVGOQLYTZCK-FOCLMDBBSA-M
XLogP2.64
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
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

disodium;4-(pyridin-2-yldiazenyl)benzene-1,3-diolate;dihydrate
CID 2735125
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-2-yldiazenyl)benzene-1,3-diol;titanium(4+)
CID 158518155
N,N-dimethyl-4-(pyridin-2-yldiazenyl)benzeneamine oxide
CID 102057168
(2-ethoxyphenyl)-pyridin-2-yldiazene
CID 122538186
2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol
CID 135552954
1-N,1-N-dimethyl-4-[(5-nitro-2-pyridinyl)diazenyl]benzene-1,3-diamine
CID 86181783
bis(3-butoxycarbonyl-8-(pyridin-2-yldiazenyl)quinolin-5-olate);nickel
CID 59728739
propan-2-yl(pyridin-2-yl)diazene
CID 123501557
(2,6-dichlorophenyl)-pyridin-2-yldiazene
CID 102225413
N-(4-methylphenyl)-2-(pyridin-2-yldiazenyl)aniline
CID 15443301

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate?
The IUPAC name of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate (CID 172638148) is 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate.
What is the SMILES notation for 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate?
The canonical SMILES for 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate is CN(C)c1ccc(/N=N/c2ccccn2)c([O-])c1.
What is the InChIKey of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate?
The InChIKey is RBYWVGOQLYTZCK-FOCLMDBBSA-M. The full InChI is InChI=1S/C13H14N4O/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13/h3-9,18H,1-2H3/p-1/b16-15+.
What are the key properties of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate?
5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate has a molecular weight of 241.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate is sourced from PubChem (CID 172638148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).