benzene-1,4-diol;bis(pyridine)

C16H16N2O2 — CID 139063023

IUPACbenzene-1,4-diol;bis(pyridine)
SMILESOc1ccc(O)cc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C6H6O2.2C5H5N/c7-5-1-2-6(8)4-3-5;2*1-2-4-6-5-3-1/h1-4,7-8H;2*1-5H
InChIKeyJKLRZECSVSWEAB-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.26
Rot. Bonds

About benzene-1,4-diol;bis(pyridine)

benzene-1,4-diol;bis(pyridine) (PubChem CID 139063023) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is benzene-1,4-diol;bis(pyridine).

Molecular Properties

Compound Namebenzene-1,4-diol;bis(pyridine)
PubChem CID139063023
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Namebenzene-1,4-diol;bis(pyridine)
SMILESOc1ccc(O)cc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C6H6O2.2C5H5N/c7-5-1-2-6(8)4-3-5;2*1-2-4-6-5-3-1/h1-4,7-8H;2*1-5H
InChIKeyJKLRZECSVSWEAB-UHFFFAOYSA-N
XLogP3.26
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 135530053
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4-[1-(4-Hydroxyphenyl)-2-methyl-3-pyridin-3-ylprop-1-enyl]phenol
CID 166625710
4-[1-(4-Hydroxyphenyl)-2-pyridin-3-ylprop-1-enyl]phenol
CID 166628679
4-[1-(4-Hydroxyphenyl)-2-(pyridin-3-ylmethyl)but-1-enyl]phenol
CID 166629948
4-[1-(4-Hydroxyphenyl)-2-methyl-4-pyridin-3-ylbut-1-enyl]phenol
CID 166634744
4-[2-Ethyl-1-(4-hydroxyphenyl)-4-pyridin-3-ylbut-1-enyl]phenol
CID 166635135
(2S)-N-Hydroxybenzylanabasine
CID 29955678
2-[(2-Pyridin-3-ylpiperidin-1-yl)methyl]phenol
CID 45928083
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4-[1-(4-Hydroxyphenyl)-2-pyridin-3-ylbut-1-enyl]phenol
CID 166627916

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;bis(pyridine)?
The IUPAC name of benzene-1,4-diol;bis(pyridine) (CID 139063023) is benzene-1,4-diol;bis(pyridine).
What is the SMILES notation for benzene-1,4-diol;bis(pyridine)?
The canonical SMILES for benzene-1,4-diol;bis(pyridine) is Oc1ccc(O)cc1.c1ccncc1.c1ccncc1.
What is the InChIKey of benzene-1,4-diol;bis(pyridine)?
The InChIKey is JKLRZECSVSWEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.2C5H5N/c7-5-1-2-6(8)4-3-5;2*1-2-4-6-5-3-1/h1-4,7-8H;2*1-5H.
What are the key properties of benzene-1,4-diol;bis(pyridine)?
benzene-1,4-diol;bis(pyridine) has a molecular weight of 268.32 g/mol, XLogP of 3.26, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;bis(pyridine) is sourced from PubChem (CID 139063023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).