4-(2-pyridin-3-ylethyl)benzene-1,3-diol

C13H13NO2 — CID 44611841

IUPAC4-(2-pyridin-3-ylethyl)benzene-1,3-diol
SMILESOc1ccc(CCc2cccnc2)c(O)c1
InChIInChI=1S/C13H13NO2/c15-12-6-5-11(13(16)8-12)4-3-10-2-1-7-14-9-10/h1-2,5-9,15-16H,3-4H2
InChIKeyRBPBGGVLVDMMJM-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.28
Rot. Bonds3

About 4-(2-pyridin-3-ylethyl)benzene-1,3-diol

4-(2-pyridin-3-ylethyl)benzene-1,3-diol (PubChem CID 44611841) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-(2-pyridin-3-ylethyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(2-pyridin-3-ylethyl)benzene-1,3-diol
PubChem CID44611841
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name4-(2-pyridin-3-ylethyl)benzene-1,3-diol
SMILESOc1ccc(CCc2cccnc2)c(O)c1
InChIInChI=1S/C13H13NO2/c15-12-6-5-11(13(16)8-12)4-3-10-2-1-7-14-9-10/h1-2,5-9,15-16H,3-4H2
InChIKeyRBPBGGVLVDMMJM-UHFFFAOYSA-N
XLogP2.28
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-pyridin-3-ylethyl)benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-3-ylethyl)benzene-1,3-diol?
The IUPAC name of 4-(2-pyridin-3-ylethyl)benzene-1,3-diol (CID 44611841) is 4-(2-pyridin-3-ylethyl)benzene-1,3-diol.
What is the SMILES notation for 4-(2-pyridin-3-ylethyl)benzene-1,3-diol?
The canonical SMILES for 4-(2-pyridin-3-ylethyl)benzene-1,3-diol is Oc1ccc(CCc2cccnc2)c(O)c1.
What is the InChIKey of 4-(2-pyridin-3-ylethyl)benzene-1,3-diol?
The InChIKey is RBPBGGVLVDMMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-12-6-5-11(13(16)8-12)4-3-10-2-1-7-14-9-10/h1-2,5-9,15-16H,3-4H2.
What are the key properties of 4-(2-pyridin-3-ylethyl)benzene-1,3-diol?
4-(2-pyridin-3-ylethyl)benzene-1,3-diol has a molecular weight of 215.25 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-3-ylethyl)benzene-1,3-diol is sourced from PubChem (CID 44611841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).