3-[5-(3-hydroxyphenyl)pyrazin-2-yl]phenol

C16H12N2O2 — CID 25093399

IUPAC3-[5-(3-hydroxyphenyl)pyrazin-2-yl]phenol
SMILESOc1cccc(-c2cnc(-c3cccc(O)c3)cn2)c1
InChIInChI=1S/C16H12N2O2/c19-13-5-1-3-11(7-13)15-9-18-16(10-17-15)12-4-2-6-14(20)8-12/h1-10,19-20H
InChIKeyNBGGRQZLXLTPFA-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.22
Rot. Bonds2

About 3-[5-(3-hydroxyphenyl)pyrazin-2-yl]phenol

3-[5-(3-hydroxyphenyl)pyrazin-2-yl]phenol (PubChem CID 25093399) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-[5-(3-hydroxyphenyl)pyrazin-2-yl]phenol.

Molecular Properties

Compound Name3-[5-(3-hydroxyphenyl)pyrazin-2-yl]phenol
PubChem CID25093399
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name3-[5-(3-hydroxyphenyl)pyrazin-2-yl]phenol
SMILESOc1cccc(-c2cnc(-c3cccc(O)c3)cn2)c1
InChIInChI=1S/C16H12N2O2/c19-13-5-1-3-11(7-13)15-9-18-16(10-17-15)12-4-2-6-14(20)8-12/h1-10,19-20H
InChIKeyNBGGRQZLXLTPFA-UHFFFAOYSA-N
XLogP3.22
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-hydroxyphenyl)pyrazin-2-yl]phenol?
The IUPAC name of 3-[5-(3-hydroxyphenyl)pyrazin-2-yl]phenol (CID 25093399) is 3-[5-(3-hydroxyphenyl)pyrazin-2-yl]phenol.
What is the SMILES notation for 3-[5-(3-hydroxyphenyl)pyrazin-2-yl]phenol?
The canonical SMILES for 3-[5-(3-hydroxyphenyl)pyrazin-2-yl]phenol is Oc1cccc(-c2cnc(-c3cccc(O)c3)cn2)c1.
What is the InChIKey of 3-[5-(3-hydroxyphenyl)pyrazin-2-yl]phenol?
The InChIKey is NBGGRQZLXLTPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-13-5-1-3-11(7-13)15-9-18-16(10-17-15)12-4-2-6-14(20)8-12/h1-10,19-20H.
What are the key properties of 3-[5-(3-hydroxyphenyl)pyrazin-2-yl]phenol?
3-[5-(3-hydroxyphenyl)pyrazin-2-yl]phenol has a molecular weight of 264.28 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-hydroxyphenyl)pyrazin-2-yl]phenol is sourced from PubChem (CID 25093399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).