6-(2-pyridin-2-ylethynyl)pyridine-2-carbaldehyde

C13H8N2O — CID 86013338

IUPAC6-(2-pyridin-2-ylethynyl)pyridine-2-carbaldehyde
SMILESO=Cc1cccc(C#Cc2ccccn2)n1
InChIInChI=1S/C13H8N2O/c16-10-13-6-3-5-12(15-13)8-7-11-4-1-2-9-14-11/h1-6,9-10H
InChIKeyVRWXRTFEIGUHQS-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.69
Rot. Bonds1

About 6-(2-pyridin-2-ylethynyl)pyridine-2-carbaldehyde

6-(2-pyridin-2-ylethynyl)pyridine-2-carbaldehyde (PubChem CID 86013338) has the molecular formula C13H8N2O and a molecular weight of 208.22 g/mol. Its IUPAC name is 6-(2-pyridin-2-ylethynyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(2-pyridin-2-ylethynyl)pyridine-2-carbaldehyde
PubChem CID86013338
Molecular FormulaC13H8N2O
Molecular Weight208.22 g/mol
Exact Mass208.06
IUPAC Name6-(2-pyridin-2-ylethynyl)pyridine-2-carbaldehyde
SMILESO=Cc1cccc(C#Cc2ccccn2)n1
InChIInChI=1S/C13H8N2O/c16-10-13-6-3-5-12(15-13)8-7-11-4-1-2-9-14-11/h1-6,9-10H
InChIKeyVRWXRTFEIGUHQS-UHFFFAOYSA-N
XLogP1.69
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.69
H-Bond Donors ≤ 50
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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Related Compounds

6-bromopyridine-2-carbaldehyde;pyridine-2-carbaldehyde
CID 157151711
formaldehyde;pyridine-2-carbaldehyde
CID 161262172
methyl 3-(6-formyl-2-pyridinyl)prop-2-ynoate
CID 144560090
2-[2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]ethynyl]pyridine
CID 102471981
2-(3-fluoroprop-1-ynyl)pyridine
CID 123437689
6-(6-formyl-2-pyridinyl)pyridine-2-carbaldehyde
CID 4975903
6-methylpyridine-2-carbaldehyde;pyrimidine-2-carbaldehyde
CID 160957949
2-(2-isocyanatoethynyl)pyridine
CID 117264947
2-[2-(4-iodophenyl)ethynyl]pyridine
CID 125483767
but-2-ene;ethene;pyridine-2-carbaldehyde
CID 142875353
dimethyl(2-pyridin-2-ylethynyl)silane
CID 155627519
2-(2-pyridin-2-ylethynyl)pyridine-4-carboxylic acid
CID 118478791

Frequently Asked Questions

What is the IUPAC name of 6-(2-pyridin-2-ylethynyl)pyridine-2-carbaldehyde?
The IUPAC name of 6-(2-pyridin-2-ylethynyl)pyridine-2-carbaldehyde (CID 86013338) is 6-(2-pyridin-2-ylethynyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(2-pyridin-2-ylethynyl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-(2-pyridin-2-ylethynyl)pyridine-2-carbaldehyde is O=Cc1cccc(C#Cc2ccccn2)n1.
What is the InChIKey of 6-(2-pyridin-2-ylethynyl)pyridine-2-carbaldehyde?
The InChIKey is VRWXRTFEIGUHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O/c16-10-13-6-3-5-12(15-13)8-7-11-4-1-2-9-14-11/h1-6,9-10H.
What are the key properties of 6-(2-pyridin-2-ylethynyl)pyridine-2-carbaldehyde?
6-(2-pyridin-2-ylethynyl)pyridine-2-carbaldehyde has a molecular weight of 208.22 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-pyridin-2-ylethynyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 86013338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).