benzene-1,4-diol;bis(4-pyridin-4-ylpyridine)

C26H22N4O2 — CID 139063025

IUPACbenzene-1,4-diol;bis(4-pyridin-4-ylpyridine)
SMILESOc1ccc(O)cc1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/2C10H8N2.C6H6O2/c2*1-5-11-6-2-9(1)10-3-7-12-8-4-10;7-5-1-2-6(8)4-3-5/h2*1-8H;1-4,7-8H
InChIKeyLAKMBDLMTNRELS-UHFFFAOYSA-N
MW422.49 g/mol
LogP5.39
Rot. Bonds2

About benzene-1,4-diol;bis(4-pyridin-4-ylpyridine)

benzene-1,4-diol;bis(4-pyridin-4-ylpyridine) (PubChem CID 139063025) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is benzene-1,4-diol;bis(4-pyridin-4-ylpyridine).

Molecular Properties

Compound Namebenzene-1,4-diol;bis(4-pyridin-4-ylpyridine)
PubChem CID139063025
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Namebenzene-1,4-diol;bis(4-pyridin-4-ylpyridine)
SMILESOc1ccc(O)cc1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/2C10H8N2.C6H6O2/c2*1-5-11-6-2-9(1)10-3-7-12-8-4-10;7-5-1-2-6(8)4-3-5/h2*1-8H;1-4,7-8H
InChIKeyLAKMBDLMTNRELS-UHFFFAOYSA-N
XLogP5.39
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-[3-methyl-5-[3-[(E)-2-phenylethenyl]-5-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]phenol
CID 118352515
3-[6-(5-methyl-6-pyridin-3-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]-3-pyridinyl]phenol
CID 162661295
3-[6-(3-Hydroxyphenyl)-4-pyridin-3-yl-2-pyridinyl]phenol
CID 122179988
2-[6-(2-Hydroxyphenyl)-4-pyridin-3-yl-2-pyridinyl]phenol
CID 137091040
Phenol, 4-[2,2':6',2''-terpyridin]-4'-yl-
CID 135461974
2-[[2-[(2-Hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 15493502
N-(2,5-dihydroxybenzyl)-N,N',N'-tris(2-pyridinylmethyl)-1,2-ethanediamine
CID 126618287
Benzene-1,4-diol;bis(pyridine)
CID 139063023
1-(2-Hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(4-pyridin-4-ylpyridine)
CID 71401574
Benzene-1,3-diol;4-(2-pyridin-4-ylethyl)pyridine
CID 85802383
1,1,1-Tris(4-hydroxyphenyl)methane-bipyridine (1/1)
CID 85884984
4-(4-Hydroxyphenyl)phenol;bis(pyridine-4-carbonitrile)
CID 86241417

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;bis(4-pyridin-4-ylpyridine)?
The IUPAC name of benzene-1,4-diol;bis(4-pyridin-4-ylpyridine) (CID 139063025) is benzene-1,4-diol;bis(4-pyridin-4-ylpyridine).
What is the SMILES notation for benzene-1,4-diol;bis(4-pyridin-4-ylpyridine)?
The canonical SMILES for benzene-1,4-diol;bis(4-pyridin-4-ylpyridine) is Oc1ccc(O)cc1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of benzene-1,4-diol;bis(4-pyridin-4-ylpyridine)?
The InChIKey is LAKMBDLMTNRELS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8N2.C6H6O2/c2*1-5-11-6-2-9(1)10-3-7-12-8-4-10;7-5-1-2-6(8)4-3-5/h2*1-8H;1-4,7-8H.
What are the key properties of benzene-1,4-diol;bis(4-pyridin-4-ylpyridine)?
benzene-1,4-diol;bis(4-pyridin-4-ylpyridine) has a molecular weight of 422.49 g/mol, XLogP of 5.39, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;bis(4-pyridin-4-ylpyridine) is sourced from PubChem (CID 139063025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).