5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;hydrobromide

C13H15BrN4O — CID 164625058

IUPAC5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;hydrobromide
SMILESBr.CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1
InChIInChI=1S/C13H14N4O.BrH/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;1H/b16-15+;
InChIKeyNSKJIVVLCNCIJE-GEEYTBSJSA-N
MW323.19 g/mol
LogP3.85
Rot. Bonds3

About 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;hydrobromide

5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;hydrobromide (PubChem CID 164625058) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;hydrobromide.

Molecular Properties

Compound Name5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;hydrobromide
PubChem CID164625058
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;hydrobromide
SMILESBr.CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1
InChIInChI=1S/C13H14N4O.BrH/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;1H/b16-15+;
InChIKeyNSKJIVVLCNCIJE-GEEYTBSJSA-N
XLogP3.85
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.85
H-Bond Donors ≤ 51
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

Lipase, triacylglycerol
CID 135534490
2-(5-Bromo-2-pyridylazo)-5-(diethylamino)phenol
CID 339622
2-(2-Pyridylazo)-5-dimethylaminophenol
CID 135741596
4-(2-Pyridylazo)resorcinol
CID 65069
ERGi-USU-6 mesylate
CID 163198555
Sodium 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate
CID 164609085
(Z)-but-2-enedioic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol
CID 164610568
Butanedioic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol
CID 164614947
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;sulfuric acid
CID 164615922
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;oxalic acid
CID 164616247
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;hydrochloride
CID 164616673
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;nitric acid
CID 164617591

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;hydrobromide?
The IUPAC name of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;hydrobromide (CID 164625058) is 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;hydrobromide.
What is the SMILES notation for 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;hydrobromide?
The canonical SMILES for 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;hydrobromide is Br.CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.
What is the InChIKey of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;hydrobromide?
The InChIKey is NSKJIVVLCNCIJE-GEEYTBSJSA-N. The full InChI is InChI=1S/C13H14N4O.BrH/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;1H/b16-15+;.
What are the key properties of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;hydrobromide?
5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;hydrobromide has a molecular weight of 323.19 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;hydrobromide is sourced from PubChem (CID 164625058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).