3-hydroxy-4-phenylpyridine-2-carbaldehyde

C12H9NO2 — CID 131602444

IUPAC3-hydroxy-4-phenylpyridine-2-carbaldehyde
SMILESO=Cc1nccc(-c2ccccc2)c1O
InChIInChI=1S/C12H9NO2/c14-8-11-12(15)10(6-7-13-11)9-4-2-1-3-5-9/h1-8,15H
InChIKeyMIYNOXWTUAWKQD-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.27
Rot. Bonds2

About 3-hydroxy-4-phenylpyridine-2-carbaldehyde

3-hydroxy-4-phenylpyridine-2-carbaldehyde (PubChem CID 131602444) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-hydroxy-4-phenylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-hydroxy-4-phenylpyridine-2-carbaldehyde
PubChem CID131602444
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name3-hydroxy-4-phenylpyridine-2-carbaldehyde
SMILESO=Cc1nccc(-c2ccccc2)c1O
InChIInChI=1S/C12H9NO2/c14-8-11-12(15)10(6-7-13-11)9-4-2-1-3-5-9/h1-8,15H
InChIKeyMIYNOXWTUAWKQD-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-hydroxy-4-phenylpyridine-2-carbaldehyde?
The IUPAC name of 3-hydroxy-4-phenylpyridine-2-carbaldehyde (CID 131602444) is 3-hydroxy-4-phenylpyridine-2-carbaldehyde.
What is the SMILES notation for 3-hydroxy-4-phenylpyridine-2-carbaldehyde?
The canonical SMILES for 3-hydroxy-4-phenylpyridine-2-carbaldehyde is O=Cc1nccc(-c2ccccc2)c1O.
What is the InChIKey of 3-hydroxy-4-phenylpyridine-2-carbaldehyde?
The InChIKey is MIYNOXWTUAWKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c14-8-11-12(15)10(6-7-13-11)9-4-2-1-3-5-9/h1-8,15H.
What are the key properties of 3-hydroxy-4-phenylpyridine-2-carbaldehyde?
3-hydroxy-4-phenylpyridine-2-carbaldehyde 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-hydroxy-4-phenylpyridine-2-carbaldehyde is sourced from PubChem (CID 131602444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).