4-pyridin-4-ylbenzene-1,2-diol

C11H9NO2 — CID 604349

IUPAC4-pyridin-4-ylbenzene-1,2-diol
SMILESOc1ccc(-c2ccncc2)cc1O
InChIInChI=1S/C11H9NO2/c13-10-2-1-9(7-11(10)14)8-3-5-12-6-4-8/h1-7,13-14H
InChIKeyGQRZBBQWBHAPOX-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.16
Rot. Bonds1

About 4-pyridin-4-ylbenzene-1,2-diol

4-pyridin-4-ylbenzene-1,2-diol (PubChem CID 604349) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 4-pyridin-4-ylbenzene-1,2-diol.

Molecular Properties

Compound Name4-pyridin-4-ylbenzene-1,2-diol
PubChem CID604349
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name4-pyridin-4-ylbenzene-1,2-diol
SMILESOc1ccc(-c2ccncc2)cc1O
InChIInChI=1S/C11H9NO2/c13-10-2-1-9(7-11(10)14)8-3-5-12-6-4-8/h1-7,13-14H
InChIKeyGQRZBBQWBHAPOX-UHFFFAOYSA-N
XLogP2.16
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-ylbenzene-1,2-diol?
The IUPAC name of 4-pyridin-4-ylbenzene-1,2-diol (CID 604349) is 4-pyridin-4-ylbenzene-1,2-diol.
What is the SMILES notation for 4-pyridin-4-ylbenzene-1,2-diol?
The canonical SMILES for 4-pyridin-4-ylbenzene-1,2-diol is Oc1ccc(-c2ccncc2)cc1O.
What is the InChIKey of 4-pyridin-4-ylbenzene-1,2-diol?
The InChIKey is GQRZBBQWBHAPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c13-10-2-1-9(7-11(10)14)8-3-5-12-6-4-8/h1-7,13-14H.
What are the key properties of 4-pyridin-4-ylbenzene-1,2-diol?
4-pyridin-4-ylbenzene-1,2-diol has a molecular weight of 187.20 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-ylbenzene-1,2-diol is sourced from PubChem (CID 604349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).