2-[2-[[3-(2-hydroxyphenyl)-2-pyridinyl]oxy]-3-pyridinyl]phenol

C22H16N2O3 — CID 70568499

IUPAC2-[2-[[3-(2-hydroxyphenyl)-2-pyridinyl]oxy]-3-pyridinyl]phenol
SMILESOc1ccccc1-c1cccnc1Oc1ncccc1-c1ccccc1O
InChIInChI=1S/C22H16N2O3/c25-19-11-3-1-7-15(19)17-9-5-13-23-21(17)27-22-18(10-6-14-24-22)16-8-2-4-12-20(16)26/h1-14,25-26H
InChIKeyUNDNLFHHZBRDCO-UHFFFAOYSA-N
MW356.38 g/mol
LogP5.01
Rot. Bonds4

About 2-[2-[[3-(2-hydroxyphenyl)-2-pyridinyl]oxy]-3-pyridinyl]phenol

2-[2-[[3-(2-hydroxyphenyl)-2-pyridinyl]oxy]-3-pyridinyl]phenol (PubChem CID 70568499) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[2-[[3-(2-hydroxyphenyl)-2-pyridinyl]oxy]-3-pyridinyl]phenol.

Molecular Properties

Compound Name2-[2-[[3-(2-hydroxyphenyl)-2-pyridinyl]oxy]-3-pyridinyl]phenol
PubChem CID70568499
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Name2-[2-[[3-(2-hydroxyphenyl)-2-pyridinyl]oxy]-3-pyridinyl]phenol
SMILESOc1ccccc1-c1cccnc1Oc1ncccc1-c1ccccc1O
InChIInChI=1S/C22H16N2O3/c25-19-11-3-1-7-15(19)17-9-5-13-23-21(17)27-22-18(10-6-14-24-22)16-8-2-4-12-20(16)26/h1-14,25-26H
InChIKeyUNDNLFHHZBRDCO-UHFFFAOYSA-N
XLogP5.01
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.38
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(2-hydroxyphenyl)-2-pyridinyl]oxy]-3-pyridinyl]phenol?
The IUPAC name of 2-[2-[[3-(2-hydroxyphenyl)-2-pyridinyl]oxy]-3-pyridinyl]phenol (CID 70568499) is 2-[2-[[3-(2-hydroxyphenyl)-2-pyridinyl]oxy]-3-pyridinyl]phenol.
What is the SMILES notation for 2-[2-[[3-(2-hydroxyphenyl)-2-pyridinyl]oxy]-3-pyridinyl]phenol?
The canonical SMILES for 2-[2-[[3-(2-hydroxyphenyl)-2-pyridinyl]oxy]-3-pyridinyl]phenol is Oc1ccccc1-c1cccnc1Oc1ncccc1-c1ccccc1O.
What is the InChIKey of 2-[2-[[3-(2-hydroxyphenyl)-2-pyridinyl]oxy]-3-pyridinyl]phenol?
The InChIKey is UNDNLFHHZBRDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c25-19-11-3-1-7-15(19)17-9-5-13-23-21(17)27-22-18(10-6-14-24-22)16-8-2-4-12-20(16)26/h1-14,25-26H.
What are the key properties of 2-[2-[[3-(2-hydroxyphenyl)-2-pyridinyl]oxy]-3-pyridinyl]phenol?
2-[2-[[3-(2-hydroxyphenyl)-2-pyridinyl]oxy]-3-pyridinyl]phenol has a molecular weight of 356.38 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(2-hydroxyphenyl)-2-pyridinyl]oxy]-3-pyridinyl]phenol is sourced from PubChem (CID 70568499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).