2-(2-hydroxy-2-pyridin-4-ylethenyl)pyridine-3-carbaldehyde

C13H10N2O2 — CID 141207164

IUPAC2-(2-hydroxy-2-pyridin-4-ylethenyl)pyridine-3-carbaldehyde
SMILESO=Cc1cccnc1C=C(O)c1ccncc1
InChIInChI=1S/C13H10N2O2/c16-9-11-2-1-5-15-12(11)8-13(17)10-3-6-14-7-4-10/h1-9,17H
InChIKeyYQFWKLABBSXWLT-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.35
Rot. Bonds3

About 2-(2-hydroxy-2-pyridin-4-ylethenyl)pyridine-3-carbaldehyde

2-(2-hydroxy-2-pyridin-4-ylethenyl)pyridine-3-carbaldehyde (PubChem CID 141207164) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-(2-hydroxy-2-pyridin-4-ylethenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-hydroxy-2-pyridin-4-ylethenyl)pyridine-3-carbaldehyde
PubChem CID141207164
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name2-(2-hydroxy-2-pyridin-4-ylethenyl)pyridine-3-carbaldehyde
SMILESO=Cc1cccnc1C=C(O)c1ccncc1
InChIInChI=1S/C13H10N2O2/c16-9-11-2-1-5-15-12(11)8-13(17)10-3-6-14-7-4-10/h1-9,17H
InChIKeyYQFWKLABBSXWLT-UHFFFAOYSA-N
XLogP2.35
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-pyridin-4-ylethenyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-(2-hydroxy-2-pyridin-4-ylethenyl)pyridine-3-carbaldehyde (CID 141207164) is 2-(2-hydroxy-2-pyridin-4-ylethenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(2-hydroxy-2-pyridin-4-ylethenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-(2-hydroxy-2-pyridin-4-ylethenyl)pyridine-3-carbaldehyde is O=Cc1cccnc1C=C(O)c1ccncc1.
What is the InChIKey of 2-(2-hydroxy-2-pyridin-4-ylethenyl)pyridine-3-carbaldehyde?
The InChIKey is YQFWKLABBSXWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-9-11-2-1-5-15-12(11)8-13(17)10-3-6-14-7-4-10/h1-9,17H.
What are the key properties of 2-(2-hydroxy-2-pyridin-4-ylethenyl)pyridine-3-carbaldehyde?
2-(2-hydroxy-2-pyridin-4-ylethenyl)pyridine-3-carbaldehyde has a molecular weight of 226.24 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-pyridin-4-ylethenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 141207164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).