3-(5-hydroxy-3-pyridinyl)benzaldehyde

C12H9NO2 — CID 53217527

IUPAC3-(5-hydroxy-3-pyridinyl)benzaldehyde
SMILESO=Cc1cccc(-c2cncc(O)c2)c1
InChIInChI=1S/C12H9NO2/c14-8-9-2-1-3-10(4-9)11-5-12(15)7-13-6-11/h1-8,15H
InChIKeyNGSDWGMHBDFQAX-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.27
Rot. Bonds2

About 3-(5-hydroxy-3-pyridinyl)benzaldehyde

3-(5-hydroxy-3-pyridinyl)benzaldehyde (PubChem CID 53217527) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-(5-hydroxy-3-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name3-(5-hydroxy-3-pyridinyl)benzaldehyde
PubChem CID53217527
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name3-(5-hydroxy-3-pyridinyl)benzaldehyde
SMILESO=Cc1cccc(-c2cncc(O)c2)c1
InChIInChI=1S/C12H9NO2/c14-8-9-2-1-3-10(4-9)11-5-12(15)7-13-6-11/h1-8,15H
InChIKeyNGSDWGMHBDFQAX-UHFFFAOYSA-N
XLogP2.27
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-3-pyridinyl)benzaldehyde?
The IUPAC name of 3-(5-hydroxy-3-pyridinyl)benzaldehyde (CID 53217527) is 3-(5-hydroxy-3-pyridinyl)benzaldehyde.
What is the SMILES notation for 3-(5-hydroxy-3-pyridinyl)benzaldehyde?
The canonical SMILES for 3-(5-hydroxy-3-pyridinyl)benzaldehyde is O=Cc1cccc(-c2cncc(O)c2)c1.
What is the InChIKey of 3-(5-hydroxy-3-pyridinyl)benzaldehyde?
The InChIKey is NGSDWGMHBDFQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c14-8-9-2-1-3-10(4-9)11-5-12(15)7-13-6-11/h1-8,15H.
What are the key properties of 3-(5-hydroxy-3-pyridinyl)benzaldehyde?
3-(5-hydroxy-3-pyridinyl)benzaldehyde has a molecular weight of 199.21 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxy-3-pyridinyl)benzaldehyde is sourced from PubChem (CID 53217527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).