3-benzyl-1-hydroxy-2H-pyridine-4-carbaldehyde

C13H13NO2 — CID 636583

IUPAC3-benzyl-1-hydroxy-2H-pyridine-4-carbaldehyde
SMILESO=CC1=C(Cc2ccccc2)CN(O)C=C1
InChIInChI=1S/C13H13NO2/c15-10-12-6-7-14(16)9-13(12)8-11-4-2-1-3-5-11/h1-7,10,16H,8-9H2
InChIKeyPHSAQLJHWJOCBJ-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.94
Rot. Bonds3

About 3-benzyl-1-hydroxy-2H-pyridine-4-carbaldehyde

3-benzyl-1-hydroxy-2H-pyridine-4-carbaldehyde (PubChem CID 636583) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-benzyl-1-hydroxy-2H-pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-benzyl-1-hydroxy-2H-pyridine-4-carbaldehyde
PubChem CID636583
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name3-benzyl-1-hydroxy-2H-pyridine-4-carbaldehyde
SMILESO=CC1=C(Cc2ccccc2)CN(O)C=C1
InChIInChI=1S/C13H13NO2/c15-10-12-6-7-14(16)9-13(12)8-11-4-2-1-3-5-11/h1-7,10,16H,8-9H2
InChIKeyPHSAQLJHWJOCBJ-UHFFFAOYSA-N
XLogP1.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-Hydroxy-5-phenylpyridin-2-one
CID 44543378
5-Benzyl-1-hydroxypyridin-2-one
CID 58171335
3-Benzyl-1-hydroxy-4-methylpyridin-2-one
CID 118717070
4-Benzyl-1-hydroxypyridin-2-one
CID 168281756
1-Hydroxy-4-phenylpyridin-2-one
CID 168281828
1-Hydroxy-5-(2-phenylethyl)pyridin-2-one
CID 118717060
1-benzyl-2H-pyridine-4-carbaldehyde
CID 57367243
1-Hydroxy-4-(2-phenylethyl)pyridin-2-one
CID 58171050
1-benzyl-4-chloro-1-oxido-2H-pyridin-1-ium-3-carbaldehyde
CID 87941228
1-ethoxy-3-phenyl-2H-pyridine
CID 151255944
1-methoxy-3-phenyl-2H-pyridine
CID 152483349
1-Hydroxy-3-phenylpyridin-2-one
CID 154304918

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-hydroxy-2H-pyridine-4-carbaldehyde?
The IUPAC name of 3-benzyl-1-hydroxy-2H-pyridine-4-carbaldehyde (CID 636583) is 3-benzyl-1-hydroxy-2H-pyridine-4-carbaldehyde.
What is the SMILES notation for 3-benzyl-1-hydroxy-2H-pyridine-4-carbaldehyde?
The canonical SMILES for 3-benzyl-1-hydroxy-2H-pyridine-4-carbaldehyde is O=CC1=C(Cc2ccccc2)CN(O)C=C1.
What is the InChIKey of 3-benzyl-1-hydroxy-2H-pyridine-4-carbaldehyde?
The InChIKey is PHSAQLJHWJOCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-10-12-6-7-14(16)9-13(12)8-11-4-2-1-3-5-11/h1-7,10,16H,8-9H2.
What are the key properties of 3-benzyl-1-hydroxy-2H-pyridine-4-carbaldehyde?
3-benzyl-1-hydroxy-2H-pyridine-4-carbaldehyde has a molecular weight of 215.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-hydroxy-2H-pyridine-4-carbaldehyde is sourced from PubChem (CID 636583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).