4-pyridin-3-ylbenzene-1,3-diol

C11H9NO2 — CID 22001174

IUPAC4-pyridin-3-ylbenzene-1,3-diol
SMILESOc1ccc(-c2cccnc2)c(O)c1
InChIInChI=1S/C11H9NO2/c13-9-3-4-10(11(14)6-9)8-2-1-5-12-7-8/h1-7,13-14H
InChIKeyQGIIUQKOKJXLED-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.16
Rot. Bonds1

About 4-pyridin-3-ylbenzene-1,3-diol

4-pyridin-3-ylbenzene-1,3-diol (PubChem CID 22001174) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 4-pyridin-3-ylbenzene-1,3-diol.

Molecular Properties

Compound Name4-pyridin-3-ylbenzene-1,3-diol
PubChem CID22001174
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name4-pyridin-3-ylbenzene-1,3-diol
SMILESOc1ccc(-c2cccnc2)c(O)c1
InChIInChI=1S/C11H9NO2/c13-9-3-4-10(11(14)6-9)8-2-1-5-12-7-8/h1-7,13-14H
InChIKeyQGIIUQKOKJXLED-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

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-ylbenzene-1,3-diol?
The IUPAC name of 4-pyridin-3-ylbenzene-1,3-diol (CID 22001174) is 4-pyridin-3-ylbenzene-1,3-diol.
What is the SMILES notation for 4-pyridin-3-ylbenzene-1,3-diol?
The canonical SMILES for 4-pyridin-3-ylbenzene-1,3-diol is Oc1ccc(-c2cccnc2)c(O)c1.
What is the InChIKey of 4-pyridin-3-ylbenzene-1,3-diol?
The InChIKey is QGIIUQKOKJXLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c13-9-3-4-10(11(14)6-9)8-2-1-5-12-7-8/h1-7,13-14H.
What are the key properties of 4-pyridin-3-ylbenzene-1,3-diol?
4-pyridin-3-ylbenzene-1,3-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-3-ylbenzene-1,3-diol is sourced from PubChem (CID 22001174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).