benzene-1,3-diol;dipyridin-4-yldiazene

C16H14N4O2 — CID 139148024

IUPACbenzene-1,3-diol;dipyridin-4-yldiazene
SMILESOc1cccc(O)c1.c1cc(/N=N/c2ccncc2)ccn1
InChIInChI=1S/C10H8N4.C6H6O2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10;7-5-2-1-3-6(8)4-5/h1-8H;1-4,7-8H/b14-13+;
InChIKeyVMXUJKLPSVKLOZ-IERUDJENSA-N
MW294.31 g/mol
LogP3.99
Rot. Bonds2

About benzene-1,3-diol;dipyridin-4-yldiazene

benzene-1,3-diol;dipyridin-4-yldiazene (PubChem CID 139148024) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is benzene-1,3-diol;dipyridin-4-yldiazene.

Molecular Properties

Compound Namebenzene-1,3-diol;dipyridin-4-yldiazene
PubChem CID139148024
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Namebenzene-1,3-diol;dipyridin-4-yldiazene
SMILESOc1cccc(O)c1.c1cc(/N=N/c2ccncc2)ccn1
InChIInChI=1S/C10H8N4.C6H6O2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10;7-5-2-1-3-6(8)4-5/h1-8H;1-4,7-8H/b14-13+;
InChIKeyVMXUJKLPSVKLOZ-IERUDJENSA-N
XLogP3.99
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.99
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'}

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Related Compounds

benzene-1,3-diol;tris(yttrium)
CID 23386139
4,6-diiodobenzene-1,3-diol;dipyridin-4-yldiazene
CID 139202655
4,6-dichlorobenzene-1,3-diol;dipyridin-4-yldiazene
CID 139202653
4,6-dibromobenzene-1,3-diol;dipyridin-4-yldiazene
CID 139202654
bis(benzene-1,3-diol);hydrate
CID 174320343
bis(benzene-1,3-diol);methane
CID 70633400
benzene-1,3-diol;bis(rutherfordium)
CID 140661178
magnesium;benzene-1,3-diol;oxygen(2-)
CID 158172570
3-(pyridin-4-ylamino)phenol
CID 13098457
benzene-1,3-diol;phenol
CID 23218590
bis(benzene-1,3-diol);formaldehyde
CID 174734201
3-[(3-aminophenyl)diazenyl]phenol
CID 134818875

Frequently Asked Questions

What is the IUPAC name of benzene-1,3-diol;dipyridin-4-yldiazene?
The IUPAC name of benzene-1,3-diol;dipyridin-4-yldiazene (CID 139148024) is benzene-1,3-diol;dipyridin-4-yldiazene.
What is the SMILES notation for benzene-1,3-diol;dipyridin-4-yldiazene?
The canonical SMILES for benzene-1,3-diol;dipyridin-4-yldiazene is Oc1cccc(O)c1.c1cc(/N=N/c2ccncc2)ccn1.
What is the InChIKey of benzene-1,3-diol;dipyridin-4-yldiazene?
The InChIKey is VMXUJKLPSVKLOZ-IERUDJENSA-N. The full InChI is InChI=1S/C10H8N4.C6H6O2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10;7-5-2-1-3-6(8)4-5/h1-8H;1-4,7-8H/b14-13+;.
What are the key properties of benzene-1,3-diol;dipyridin-4-yldiazene?
benzene-1,3-diol;dipyridin-4-yldiazene has a molecular weight of 294.31 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-diol;dipyridin-4-yldiazene is sourced from PubChem (CID 139148024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).