4-(2,6-dipyridin-2-yl-4-pyridinyl)phenol

C21H15N3O — CID 135461974

IUPAC4-(2,6-dipyridin-2-yl-4-pyridinyl)phenol
SMILESOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C21H15N3O/c25-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-22-18)24-21(14-16)19-6-2-4-12-23-19/h1-14,25H
InChIKeyMVGFLLZPRCSFIY-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.58
Rot. Bonds3

About 4-(2,6-dipyridin-2-yl-4-pyridinyl)phenol

4-(2,6-dipyridin-2-yl-4-pyridinyl)phenol (PubChem CID 135461974) has the molecular formula C21H15N3O and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-(2,6-dipyridin-2-yl-4-pyridinyl)phenol.

Molecular Properties

Compound Name4-(2,6-dipyridin-2-yl-4-pyridinyl)phenol
PubChem CID135461974
Molecular FormulaC21H15N3O
Molecular Weight325.37 g/mol
Exact Mass325.12
IUPAC Name4-(2,6-dipyridin-2-yl-4-pyridinyl)phenol
SMILESOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C21H15N3O/c25-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-22-18)24-21(14-16)19-6-2-4-12-23-19/h1-14,25H
InChIKeyMVGFLLZPRCSFIY-UHFFFAOYSA-N
XLogP4.58
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dipyridin-2-yl-4-pyridinyl)phenol?
The IUPAC name of 4-(2,6-dipyridin-2-yl-4-pyridinyl)phenol (CID 135461974) is 4-(2,6-dipyridin-2-yl-4-pyridinyl)phenol.
What is the SMILES notation for 4-(2,6-dipyridin-2-yl-4-pyridinyl)phenol?
The canonical SMILES for 4-(2,6-dipyridin-2-yl-4-pyridinyl)phenol is Oc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of 4-(2,6-dipyridin-2-yl-4-pyridinyl)phenol?
The InChIKey is MVGFLLZPRCSFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O/c25-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-22-18)24-21(14-16)19-6-2-4-12-23-19/h1-14,25H.
What are the key properties of 4-(2,6-dipyridin-2-yl-4-pyridinyl)phenol?
4-(2,6-dipyridin-2-yl-4-pyridinyl)phenol has a molecular weight of 325.37 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dipyridin-2-yl-4-pyridinyl)phenol is sourced from PubChem (CID 135461974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).