2-[5-[(3-hydroxyphenyl)methylamino]-3-pyridinyl]phenol

C18H16N2O2 — CID 68947876

IUPAC2-[5-[(3-hydroxyphenyl)methylamino]-3-pyridinyl]phenol
SMILESOc1cccc(CNc2cncc(-c3ccccc3O)c2)c1
InChIInChI=1S/C18H16N2O2/c21-16-5-3-4-13(8-16)10-20-15-9-14(11-19-12-15)17-6-1-2-7-18(17)22/h1-9,11-12,20-22H,10H2
InChIKeyFQYJKWANEOSVNX-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.77
Rot. Bonds4

About 2-[5-[(3-hydroxyphenyl)methylamino]-3-pyridinyl]phenol

2-[5-[(3-hydroxyphenyl)methylamino]-3-pyridinyl]phenol (PubChem CID 68947876) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[5-[(3-hydroxyphenyl)methylamino]-3-pyridinyl]phenol.

Molecular Properties

Compound Name2-[5-[(3-hydroxyphenyl)methylamino]-3-pyridinyl]phenol
PubChem CID68947876
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-[5-[(3-hydroxyphenyl)methylamino]-3-pyridinyl]phenol
SMILESOc1cccc(CNc2cncc(-c3ccccc3O)c2)c1
InChIInChI=1S/C18H16N2O2/c21-16-5-3-4-13(8-16)10-20-15-9-14(11-19-12-15)17-6-1-2-7-18(17)22/h1-9,11-12,20-22H,10H2
InChIKeyFQYJKWANEOSVNX-UHFFFAOYSA-N
XLogP3.77
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-hydroxyphenyl)methylamino]-3-pyridinyl]phenol?
The IUPAC name of 2-[5-[(3-hydroxyphenyl)methylamino]-3-pyridinyl]phenol (CID 68947876) is 2-[5-[(3-hydroxyphenyl)methylamino]-3-pyridinyl]phenol.
What is the SMILES notation for 2-[5-[(3-hydroxyphenyl)methylamino]-3-pyridinyl]phenol?
The canonical SMILES for 2-[5-[(3-hydroxyphenyl)methylamino]-3-pyridinyl]phenol is Oc1cccc(CNc2cncc(-c3ccccc3O)c2)c1.
What is the InChIKey of 2-[5-[(3-hydroxyphenyl)methylamino]-3-pyridinyl]phenol?
The InChIKey is FQYJKWANEOSVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-16-5-3-4-13(8-16)10-20-15-9-14(11-19-12-15)17-6-1-2-7-18(17)22/h1-9,11-12,20-22H,10H2.
What are the key properties of 2-[5-[(3-hydroxyphenyl)methylamino]-3-pyridinyl]phenol?
2-[5-[(3-hydroxyphenyl)methylamino]-3-pyridinyl]phenol has a molecular weight of 292.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-hydroxyphenyl)methylamino]-3-pyridinyl]phenol is sourced from PubChem (CID 68947876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).