3-[6-(3-hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol

C22H16N2O2 — CID 122179982

IUPAC3-[6-(3-hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
SMILESOc1cccc(-c2cc(-c3ccccn3)cc(-c3cccc(O)c3)n2)c1
InChIInChI=1S/C22H16N2O2/c25-18-7-3-5-15(11-18)21-13-17(20-9-1-2-10-23-20)14-22(24-21)16-6-4-8-19(26)12-16/h1-14,25-26H
InChIKeyPSZKEEJJKSYTPH-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.89
Rot. Bonds3

About 3-[6-(3-hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol

3-[6-(3-hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol (PubChem CID 122179982) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[6-(3-hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-[6-(3-hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
PubChem CID122179982
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name3-[6-(3-hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
SMILESOc1cccc(-c2cc(-c3ccccn3)cc(-c3cccc(O)c3)n2)c1
InChIInChI=1S/C22H16N2O2/c25-18-7-3-5-15(11-18)21-13-17(20-9-1-2-10-23-20)14-22(24-21)16-6-4-8-19(26)12-16/h1-14,25-26H
InChIKeyPSZKEEJJKSYTPH-UHFFFAOYSA-N
XLogP4.89
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol?
The IUPAC name of 3-[6-(3-hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol (CID 122179982) is 3-[6-(3-hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol.
What is the SMILES notation for 3-[6-(3-hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol?
The canonical SMILES for 3-[6-(3-hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol is Oc1cccc(-c2cc(-c3ccccn3)cc(-c3cccc(O)c3)n2)c1.
What is the InChIKey of 3-[6-(3-hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol?
The InChIKey is PSZKEEJJKSYTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-18-7-3-5-15(11-18)21-13-17(20-9-1-2-10-23-20)14-22(24-21)16-6-4-8-19(26)12-16/h1-14,25-26H.
What are the key properties of 3-[6-(3-hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol?
3-[6-(3-hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol has a molecular weight of 340.38 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol is sourced from PubChem (CID 122179982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).