4-(pyridin-3-ylmethyl)benzene-1,3-diol

C12H11NO2 — CID 59152424

IUPAC4-(pyridin-3-ylmethyl)benzene-1,3-diol
SMILESOc1ccc(Cc2cccnc2)c(O)c1
InChIInChI=1S/C12H11NO2/c14-11-4-3-10(12(15)7-11)6-9-2-1-5-13-8-9/h1-5,7-8,14-15H,6H2
InChIKeyZWKHYPPKPLXBIY-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.08
Rot. Bonds2

About 4-(pyridin-3-ylmethyl)benzene-1,3-diol

4-(pyridin-3-ylmethyl)benzene-1,3-diol (PubChem CID 59152424) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-(pyridin-3-ylmethyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(pyridin-3-ylmethyl)benzene-1,3-diol
PubChem CID59152424
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name4-(pyridin-3-ylmethyl)benzene-1,3-diol
SMILESOc1ccc(Cc2cccnc2)c(O)c1
InChIInChI=1S/C12H11NO2/c14-11-4-3-10(12(15)7-11)6-9-2-1-5-13-8-9/h1-5,7-8,14-15H,6H2
InChIKeyZWKHYPPKPLXBIY-UHFFFAOYSA-N
XLogP2.08
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-3-ylmethyl)benzene-1,3-diol?
The IUPAC name of 4-(pyridin-3-ylmethyl)benzene-1,3-diol (CID 59152424) is 4-(pyridin-3-ylmethyl)benzene-1,3-diol.
What is the SMILES notation for 4-(pyridin-3-ylmethyl)benzene-1,3-diol?
The canonical SMILES for 4-(pyridin-3-ylmethyl)benzene-1,3-diol is Oc1ccc(Cc2cccnc2)c(O)c1.
What is the InChIKey of 4-(pyridin-3-ylmethyl)benzene-1,3-diol?
The InChIKey is ZWKHYPPKPLXBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-11-4-3-10(12(15)7-11)6-9-2-1-5-13-8-9/h1-5,7-8,14-15H,6H2.
What are the key properties of 4-(pyridin-3-ylmethyl)benzene-1,3-diol?
4-(pyridin-3-ylmethyl)benzene-1,3-diol has a molecular weight of 201.22 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-3-ylmethyl)benzene-1,3-diol is sourced from PubChem (CID 59152424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).