5-(4-pyridin-4-ylphenyl)benzene-1,3-diol

C17H13NO2 — CID 71460608

IUPAC5-(4-pyridin-4-ylphenyl)benzene-1,3-diol
SMILESOc1cc(O)cc(-c2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C17H13NO2/c19-16-9-15(10-17(20)11-16)13-3-1-12(2-4-13)14-5-7-18-8-6-14/h1-11,19-20H
InChIKeyFCUABTXQFGWNMZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.83
Rot. Bonds2

About 5-(4-pyridin-4-ylphenyl)benzene-1,3-diol

5-(4-pyridin-4-ylphenyl)benzene-1,3-diol (PubChem CID 71460608) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-(4-pyridin-4-ylphenyl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(4-pyridin-4-ylphenyl)benzene-1,3-diol
PubChem CID71460608
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name5-(4-pyridin-4-ylphenyl)benzene-1,3-diol
SMILESOc1cc(O)cc(-c2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C17H13NO2/c19-16-9-15(10-17(20)11-16)13-3-1-12(2-4-13)14-5-7-18-8-6-14/h1-11,19-20H
InChIKeyFCUABTXQFGWNMZ-UHFFFAOYSA-N
XLogP3.83
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-pyridin-4-ylphenyl)benzene-1,3-diol?
The IUPAC name of 5-(4-pyridin-4-ylphenyl)benzene-1,3-diol (CID 71460608) is 5-(4-pyridin-4-ylphenyl)benzene-1,3-diol.
What is the SMILES notation for 5-(4-pyridin-4-ylphenyl)benzene-1,3-diol?
The canonical SMILES for 5-(4-pyridin-4-ylphenyl)benzene-1,3-diol is Oc1cc(O)cc(-c2ccc(-c3ccncc3)cc2)c1.
What is the InChIKey of 5-(4-pyridin-4-ylphenyl)benzene-1,3-diol?
The InChIKey is FCUABTXQFGWNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c19-16-9-15(10-17(20)11-16)13-3-1-12(2-4-13)14-5-7-18-8-6-14/h1-11,19-20H.
What are the key properties of 5-(4-pyridin-4-ylphenyl)benzene-1,3-diol?
5-(4-pyridin-4-ylphenyl)benzene-1,3-diol has a molecular weight of 263.30 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyridin-4-ylphenyl)benzene-1,3-diol is sourced from PubChem (CID 71460608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).