2-amino-5-(2-phenylethynyl)pyridine-3-carbaldehyde

C14H10N2O — CID 123441309

IUPAC2-amino-5-(2-phenylethynyl)pyridine-3-carbaldehyde
SMILESNc1ncc(C#Cc2ccccc2)cc1C=O
InChIInChI=1S/C14H10N2O/c15-14-13(10-17)8-12(9-16-14)7-6-11-4-2-1-3-5-11/h1-5,8-10H,(H2,15,16)
InChIKeyTUBWKMZJUQYARY-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.88
Rot. Bonds1

About 2-amino-5-(2-phenylethynyl)pyridine-3-carbaldehyde

2-amino-5-(2-phenylethynyl)pyridine-3-carbaldehyde (PubChem CID 123441309) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-amino-5-(2-phenylethynyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-amino-5-(2-phenylethynyl)pyridine-3-carbaldehyde
PubChem CID123441309
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name2-amino-5-(2-phenylethynyl)pyridine-3-carbaldehyde
SMILESNc1ncc(C#Cc2ccccc2)cc1C=O
InChIInChI=1S/C14H10N2O/c15-14-13(10-17)8-12(9-16-14)7-6-11-4-2-1-3-5-11/h1-5,8-10H,(H2,15,16)
InChIKeyTUBWKMZJUQYARY-UHFFFAOYSA-N
XLogP1.88
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-phenylethynyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-amino-5-(2-phenylethynyl)pyridine-3-carbaldehyde (CID 123441309) is 2-amino-5-(2-phenylethynyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-amino-5-(2-phenylethynyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-amino-5-(2-phenylethynyl)pyridine-3-carbaldehyde is Nc1ncc(C#Cc2ccccc2)cc1C=O.
What is the InChIKey of 2-amino-5-(2-phenylethynyl)pyridine-3-carbaldehyde?
The InChIKey is TUBWKMZJUQYARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c15-14-13(10-17)8-12(9-16-14)7-6-11-4-2-1-3-5-11/h1-5,8-10H,(H2,15,16).
What are the key properties of 2-amino-5-(2-phenylethynyl)pyridine-3-carbaldehyde?
2-amino-5-(2-phenylethynyl)pyridine-3-carbaldehyde has a molecular weight of 222.25 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-phenylethynyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 123441309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).