5-(2,5-dimethoxyphenyl)pyridin-3-ol

C13H13NO3 — CID 53217947

IUPAC5-(2,5-dimethoxyphenyl)pyridin-3-ol
SMILESCOc1ccc(OC)c(-c2cncc(O)c2)c1
InChIInChI=1S/C13H13NO3/c1-16-11-3-4-13(17-2)12(6-11)9-5-10(15)8-14-7-9/h3-8,15H,1-2H3
InChIKeyCKKWKCMRLUYCDZ-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.47
Rot. Bonds3

About 5-(2,5-dimethoxyphenyl)pyridin-3-ol

5-(2,5-dimethoxyphenyl)pyridin-3-ol (PubChem CID 53217947) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)pyridin-3-ol.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)pyridin-3-ol
PubChem CID53217947
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name5-(2,5-dimethoxyphenyl)pyridin-3-ol
SMILESCOc1ccc(OC)c(-c2cncc(O)c2)c1
InChIInChI=1S/C13H13NO3/c1-16-11-3-4-13(17-2)12(6-11)9-5-10(15)8-14-7-9/h3-8,15H,1-2H3
InChIKeyCKKWKCMRLUYCDZ-UHFFFAOYSA-N
XLogP2.47
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)pyridin-3-ol?
The IUPAC name of 5-(2,5-dimethoxyphenyl)pyridin-3-ol (CID 53217947) is 5-(2,5-dimethoxyphenyl)pyridin-3-ol.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)pyridin-3-ol?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)pyridin-3-ol is COc1ccc(OC)c(-c2cncc(O)c2)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)pyridin-3-ol?
The InChIKey is CKKWKCMRLUYCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-16-11-3-4-13(17-2)12(6-11)9-5-10(15)8-14-7-9/h3-8,15H,1-2H3.
What are the key properties of 5-(2,5-dimethoxyphenyl)pyridin-3-ol?
5-(2,5-dimethoxyphenyl)pyridin-3-ol has a molecular weight of 231.25 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)pyridin-3-ol is sourced from PubChem (CID 53217947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).