5-benzylpyridin-3-ol

C12H11NO — CID 796726

IUPAC5-benzylpyridin-3-ol
SMILESOc1cncc(Cc2ccccc2)c1
InChIInChI=1S/C12H11NO/c14-12-7-11(8-13-9-12)6-10-4-2-1-3-5-10/h1-5,7-9,14H,6H2
InChIKeyBBQJCGXVQMUHAR-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.38
Rot. Bonds2

About 5-benzylpyridin-3-ol

5-benzylpyridin-3-ol (PubChem CID 796726) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 5-benzylpyridin-3-ol.

Molecular Properties

Compound Name5-benzylpyridin-3-ol
PubChem CID796726
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name5-benzylpyridin-3-ol
SMILESOc1cncc(Cc2ccccc2)c1
InChIInChI=1S/C12H11NO/c14-12-7-11(8-13-9-12)6-10-4-2-1-3-5-10/h1-5,7-9,14H,6H2
InChIKeyBBQJCGXVQMUHAR-UHFFFAOYSA-N
XLogP2.38
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzylpyridin-3-ol?
The IUPAC name of 5-benzylpyridin-3-ol (CID 796726) is 5-benzylpyridin-3-ol.
What is the SMILES notation for 5-benzylpyridin-3-ol?
The canonical SMILES for 5-benzylpyridin-3-ol is Oc1cncc(Cc2ccccc2)c1.
What is the InChIKey of 5-benzylpyridin-3-ol?
The InChIKey is BBQJCGXVQMUHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c14-12-7-11(8-13-9-12)6-10-4-2-1-3-5-10/h1-5,7-9,14H,6H2.
What are the key properties of 5-benzylpyridin-3-ol?
5-benzylpyridin-3-ol has a molecular weight of 185.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylpyridin-3-ol is sourced from PubChem (CID 796726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).