5-(2,6-dipyridin-2-yl-4-pyridinyl)benzene-1,3-diol

C21H15N3O2 — CID 23516660

IUPAC5-(2,6-dipyridin-2-yl-4-pyridinyl)benzene-1,3-diol
SMILESOc1cc(O)cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1
InChIInChI=1S/C21H15N3O2/c25-16-9-14(10-17(26)13-16)15-11-20(18-5-1-3-7-22-18)24-21(12-15)19-6-2-4-8-23-19/h1-13,25-26H
InChIKeyNWIVVFRSNWZFKO-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.28
Rot. Bonds3

About 5-(2,6-dipyridin-2-yl-4-pyridinyl)benzene-1,3-diol

5-(2,6-dipyridin-2-yl-4-pyridinyl)benzene-1,3-diol (PubChem CID 23516660) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-(2,6-dipyridin-2-yl-4-pyridinyl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(2,6-dipyridin-2-yl-4-pyridinyl)benzene-1,3-diol
PubChem CID23516660
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name5-(2,6-dipyridin-2-yl-4-pyridinyl)benzene-1,3-diol
SMILESOc1cc(O)cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1
InChIInChI=1S/C21H15N3O2/c25-16-9-14(10-17(26)13-16)15-11-20(18-5-1-3-7-22-18)24-21(12-15)19-6-2-4-8-23-19/h1-13,25-26H
InChIKeyNWIVVFRSNWZFKO-UHFFFAOYSA-N
XLogP4.28
TPSA79.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dipyridin-2-yl-4-pyridinyl)benzene-1,3-diol?
The IUPAC name of 5-(2,6-dipyridin-2-yl-4-pyridinyl)benzene-1,3-diol (CID 23516660) is 5-(2,6-dipyridin-2-yl-4-pyridinyl)benzene-1,3-diol.
What is the SMILES notation for 5-(2,6-dipyridin-2-yl-4-pyridinyl)benzene-1,3-diol?
The canonical SMILES for 5-(2,6-dipyridin-2-yl-4-pyridinyl)benzene-1,3-diol is Oc1cc(O)cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1.
What is the InChIKey of 5-(2,6-dipyridin-2-yl-4-pyridinyl)benzene-1,3-diol?
The InChIKey is NWIVVFRSNWZFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c25-16-9-14(10-17(26)13-16)15-11-20(18-5-1-3-7-22-18)24-21(12-15)19-6-2-4-8-23-19/h1-13,25-26H.
What are the key properties of 5-(2,6-dipyridin-2-yl-4-pyridinyl)benzene-1,3-diol?
5-(2,6-dipyridin-2-yl-4-pyridinyl)benzene-1,3-diol has a molecular weight of 341.37 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dipyridin-2-yl-4-pyridinyl)benzene-1,3-diol is sourced from PubChem (CID 23516660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).