2-[4-(2-hydroxyphenyl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenol

C20H14N4O2 — CID 146460647

IUPAC2-[4-(2-hydroxyphenyl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenol
SMILESOc1ccccc1-c1nc(-c2ccncc2)nc(-c2ccccc2O)n1
InChIInChI=1S/C20H14N4O2/c25-16-7-3-1-5-14(16)19-22-18(13-9-11-21-12-10-13)23-20(24-19)15-6-2-4-8-17(15)26/h1-12,25-26H
InChIKeyPLNYIXJTLLMSKR-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.68
Rot. Bonds3

About 2-[4-(2-hydroxyphenyl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenol

2-[4-(2-hydroxyphenyl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenol (PubChem CID 146460647) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-[4-(2-hydroxyphenyl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(2-hydroxyphenyl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenol
PubChem CID146460647
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name2-[4-(2-hydroxyphenyl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenol
SMILESOc1ccccc1-c1nc(-c2ccncc2)nc(-c2ccccc2O)n1
InChIInChI=1S/C20H14N4O2/c25-16-7-3-1-5-14(16)19-22-18(13-9-11-21-12-10-13)23-20(24-19)15-6-2-4-8-17(15)26/h1-12,25-26H
InChIKeyPLNYIXJTLLMSKR-UHFFFAOYSA-N
XLogP3.68
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyphenyl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 2-[4-(2-hydroxyphenyl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenol (CID 146460647) is 2-[4-(2-hydroxyphenyl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 2-[4-(2-hydroxyphenyl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 2-[4-(2-hydroxyphenyl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenol is Oc1ccccc1-c1nc(-c2ccncc2)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-[4-(2-hydroxyphenyl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenol?
The InChIKey is PLNYIXJTLLMSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c25-16-7-3-1-5-14(16)19-22-18(13-9-11-21-12-10-13)23-20(24-19)15-6-2-4-8-17(15)26/h1-12,25-26H.
What are the key properties of 2-[4-(2-hydroxyphenyl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenol?
2-[4-(2-hydroxyphenyl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenol has a molecular weight of 342.36 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyphenyl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 146460647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).