butanedioic acid;dipyridin-3-yldiazene

C14H14N4O4 — CID 139196676

IUPACbutanedioic acid;dipyridin-3-yldiazene
SMILESO=C(O)CCC(=O)O.c1cncc(/N=N/c2cccnc2)c1
InChIInChI=1S/C10H8N4.C4H6O4/c1-3-9(7-11-5-1)13-14-10-4-2-6-12-8-10;5-3(6)1-2-4(7)8/h1-8H;1-2H2,(H,5,6)(H,7,8)/b14-13+;
InChIKeyGFLITRVUBDLVNX-IERUDJENSA-N
MW302.29 g/mol
LogP2.83
Rot. Bonds5

About butanedioic acid;dipyridin-3-yldiazene

butanedioic acid;dipyridin-3-yldiazene (PubChem CID 139196676) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is butanedioic acid;dipyridin-3-yldiazene.

Molecular Properties

Compound Namebutanedioic acid;dipyridin-3-yldiazene
PubChem CID139196676
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Namebutanedioic acid;dipyridin-3-yldiazene
SMILESO=C(O)CCC(=O)O.c1cncc(/N=N/c2cccnc2)c1
InChIInChI=1S/C10H8N4.C4H6O4/c1-3-9(7-11-5-1)13-14-10-4-2-6-12-8-10;5-3(6)1-2-4(7)8/h1-8H;1-2H2,(H,5,6)(H,7,8)/b14-13+;
InChIKeyGFLITRVUBDLVNX-IERUDJENSA-N
XLogP2.83
TPSA125.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze butanedioic acid;dipyridin-3-yldiazene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butanedioic acid;pyridine-3-carboxamide
CID 159465776
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
butanedioic acid;bis(pyridine)
CID 155388203
[methyl-(pyridin-3-yldiazenyl)amino]methanol
CID 13099386
5-(pyridin-3-ylamino)pentanoic acid
CID 102421086
4-(pyridin-3-yldiazenyl)benzene-1,3-diol
CID 611991
2-(pyridin-3-yldiazenyl)benzaldehyde
CID 87139690
3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid
CID 171697660
CID 66868100
CID 66868100
propanedioic acid;pyridin-3-ol
CID 73057441
lithium;hydride;2-pyridin-3-ylacetic acid
CID 173026035
4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid
CID 115163778

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;dipyridin-3-yldiazene?
The IUPAC name of butanedioic acid;dipyridin-3-yldiazene (CID 139196676) is butanedioic acid;dipyridin-3-yldiazene.
What is the SMILES notation for butanedioic acid;dipyridin-3-yldiazene?
The canonical SMILES for butanedioic acid;dipyridin-3-yldiazene is O=C(O)CCC(=O)O.c1cncc(/N=N/c2cccnc2)c1.
What is the InChIKey of butanedioic acid;dipyridin-3-yldiazene?
The InChIKey is GFLITRVUBDLVNX-IERUDJENSA-N. The full InChI is InChI=1S/C10H8N4.C4H6O4/c1-3-9(7-11-5-1)13-14-10-4-2-6-12-8-10;5-3(6)1-2-4(7)8/h1-8H;1-2H2,(H,5,6)(H,7,8)/b14-13+;.
What are the key properties of butanedioic acid;dipyridin-3-yldiazene?
butanedioic acid;dipyridin-3-yldiazene has a molecular weight of 302.29 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;dipyridin-3-yldiazene is sourced from PubChem (CID 139196676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).