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

C12H11NO3 — CID 117219782

IUPAC4-(pyridin-3-yloxymethyl)benzene-1,3-diol
SMILESOc1ccc(COc2cccnc2)c(O)c1
InChIInChI=1S/C12H11NO3/c14-10-4-3-9(12(15)6-10)8-16-11-2-1-5-13-7-11/h1-7,14-15H,8H2
InChIKeyWHMUCBODAZEZRW-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.07
Rot. Bonds3

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

4-(pyridin-3-yloxymethyl)benzene-1,3-diol (PubChem CID 117219782) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 4-(pyridin-3-yloxymethyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(pyridin-3-yloxymethyl)benzene-1,3-diol
PubChem CID117219782
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name4-(pyridin-3-yloxymethyl)benzene-1,3-diol
SMILESOc1ccc(COc2cccnc2)c(O)c1
InChIInChI=1S/C12H11NO3/c14-10-4-3-9(12(15)6-10)8-16-11-2-1-5-13-7-11/h1-7,14-15H,8H2
InChIKeyWHMUCBODAZEZRW-UHFFFAOYSA-N
XLogP2.07
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(pyridin-3-yloxymethyl)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

Related Compounds

1-propan-2-yl-3-(pyridin-3-yloxymethyl)indol-5-ol
CID 117175660
1-ethyl-3-(pyridin-3-yloxymethyl)indol-6-ol
CID 117179045
2-(pyridin-3-yloxymethyl)-1-benzofuran-7-ol
CID 117182846
4-fluoro-3-(pyridin-3-yloxymethyl)benzoic acid
CID 63074970
5-methyl-4-(pyridin-3-yloxymethyl)thiophene-2-carboxylic acid
CID 80730982
4-fluoro-2-(pyridin-3-yloxymethyl)benzonitrile
CID 114014859
3-[(3-fluorophenyl)methoxy]pyridine
CID 18758418
2-[(3-hydroxyphenoxy)methyl]-5-methylphenol
CID 117221141
[3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine
CID 62894701
N-methyl-1-[2-(pyridin-3-yloxymethyl)phenyl]methanamine
CID 62451935
6-methyl-3-(pyridin-3-yloxymethyl)-1H-indole
CID 117185687
3-[(2-bromo-4-nitrophenyl)methoxy]pyridine
CID 112558785

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-3-yloxymethyl)benzene-1,3-diol?
The IUPAC name of 4-(pyridin-3-yloxymethyl)benzene-1,3-diol (CID 117219782) is 4-(pyridin-3-yloxymethyl)benzene-1,3-diol.
What is the SMILES notation for 4-(pyridin-3-yloxymethyl)benzene-1,3-diol?
The canonical SMILES for 4-(pyridin-3-yloxymethyl)benzene-1,3-diol is Oc1ccc(COc2cccnc2)c(O)c1.
What is the InChIKey of 4-(pyridin-3-yloxymethyl)benzene-1,3-diol?
The InChIKey is WHMUCBODAZEZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c14-10-4-3-9(12(15)6-10)8-16-11-2-1-5-13-7-11/h1-7,14-15H,8H2.
What are the key properties of 4-(pyridin-3-yloxymethyl)benzene-1,3-diol?
4-(pyridin-3-yloxymethyl)benzene-1,3-diol has a molecular weight of 217.22 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-3-yloxymethyl)benzene-1,3-diol is sourced from PubChem (CID 117219782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).