3-[[2-(4-hydroxyphenyl)-4-pyridinyl]amino]phenol

C17H14N2O2 — CID 139448610

IUPAC3-[[2-(4-hydroxyphenyl)-4-pyridinyl]amino]phenol
SMILESOc1ccc(-c2cc(Nc3cccc(O)c3)ccn2)cc1
InChIInChI=1S/C17H14N2O2/c20-15-6-4-12(5-7-15)17-11-14(8-9-18-17)19-13-2-1-3-16(21)10-13/h1-11,20-21H,(H,18,19)
InChIKeyQYUYRZHMHYBKLW-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.90
Rot. Bonds3

About 3-[[2-(4-hydroxyphenyl)-4-pyridinyl]amino]phenol

3-[[2-(4-hydroxyphenyl)-4-pyridinyl]amino]phenol (PubChem CID 139448610) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[[2-(4-hydroxyphenyl)-4-pyridinyl]amino]phenol.

Molecular Properties

Compound Name3-[[2-(4-hydroxyphenyl)-4-pyridinyl]amino]phenol
PubChem CID139448610
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name3-[[2-(4-hydroxyphenyl)-4-pyridinyl]amino]phenol
SMILESOc1ccc(-c2cc(Nc3cccc(O)c3)ccn2)cc1
InChIInChI=1S/C17H14N2O2/c20-15-6-4-12(5-7-15)17-11-14(8-9-18-17)19-13-2-1-3-16(21)10-13/h1-11,20-21H,(H,18,19)
InChIKeyQYUYRZHMHYBKLW-UHFFFAOYSA-N
XLogP3.90
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-hydroxyphenyl)-4-pyridinyl]amino]phenol?
The IUPAC name of 3-[[2-(4-hydroxyphenyl)-4-pyridinyl]amino]phenol (CID 139448610) is 3-[[2-(4-hydroxyphenyl)-4-pyridinyl]amino]phenol.
What is the SMILES notation for 3-[[2-(4-hydroxyphenyl)-4-pyridinyl]amino]phenol?
The canonical SMILES for 3-[[2-(4-hydroxyphenyl)-4-pyridinyl]amino]phenol is Oc1ccc(-c2cc(Nc3cccc(O)c3)ccn2)cc1.
What is the InChIKey of 3-[[2-(4-hydroxyphenyl)-4-pyridinyl]amino]phenol?
The InChIKey is QYUYRZHMHYBKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-15-6-4-12(5-7-15)17-11-14(8-9-18-17)19-13-2-1-3-16(21)10-13/h1-11,20-21H,(H,18,19).
What are the key properties of 3-[[2-(4-hydroxyphenyl)-4-pyridinyl]amino]phenol?
3-[[2-(4-hydroxyphenyl)-4-pyridinyl]amino]phenol has a molecular weight of 278.31 g/mol, XLogP of 3.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-hydroxyphenyl)-4-pyridinyl]amino]phenol is sourced from PubChem (CID 139448610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).