(Z)-but-2-enedioic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol

C17H18N4O5 — CID 164610568

IUPAC(Z)-but-2-enedioic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol
SMILESCN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C13H14N4O.C4H4O4/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;5-3(6)1-2-4(7)8/h3-9,18H,1-2H3;1-2H,(H,5,6)(H,7,8)/b16-15+;2-1-
InChIKeyONDIZFZEFXZDQJ-QIFPAGTOSA-N
MW358.35 g/mol
LogP2.98
Rot. Bonds5

About (Z)-but-2-enedioic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol

(Z)-but-2-enedioic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol (PubChem CID 164610568) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol
PubChem CID164610568
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC Name(Z)-but-2-enedioic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol
SMILESCN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C13H14N4O.C4H4O4/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;5-3(6)1-2-4(7)8/h3-9,18H,1-2H3;1-2H,(H,5,6)(H,7,8)/b16-15+;2-1-
InChIKeyONDIZFZEFXZDQJ-QIFPAGTOSA-N
XLogP2.98
TPSA135.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.98
H-Bond Donors ≤ 53
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(5-Bromo-2-pyridylazo)-5-(diethylamino)phenol
CID 339622
2-(2-Pyridylazo)-5-dimethylaminophenol
CID 135741596
ERGi-USU-6 (mesylate)
CID 163198555
Sodium 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate
CID 164609085
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
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethane-1,2-disulfonic acid
CID 164623886
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;hydrobromide
CID 164625058
Benzenesulfonic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol
CID 164627541

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol?
The IUPAC name of (Z)-but-2-enedioic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol (CID 164610568) is (Z)-but-2-enedioic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol.
What is the SMILES notation for (Z)-but-2-enedioic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol?
The canonical SMILES for (Z)-but-2-enedioic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol is CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol?
The InChIKey is ONDIZFZEFXZDQJ-QIFPAGTOSA-N. The full InChI is InChI=1S/C13H14N4O.C4H4O4/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;5-3(6)1-2-4(7)8/h3-9,18H,1-2H3;1-2H,(H,5,6)(H,7,8)/b16-15+;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol?
(Z)-but-2-enedioic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol has a molecular weight of 358.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol is sourced from PubChem (CID 164610568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).