2-(2-pyridin-3-ylethynyl)benzaldehyde

C14H9NO — CID 163461289

IUPAC2-(2-pyridin-3-ylethynyl)benzaldehyde
SMILESO=Cc1ccccc1C#Cc1cccnc1
InChIInChI=1S/C14H9NO/c16-11-14-6-2-1-5-13(14)8-7-12-4-3-9-15-10-12/h1-6,9-11H
InChIKeyBOUGOXHMACOUTR-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.29
Rot. Bonds1

About 2-(2-pyridin-3-ylethynyl)benzaldehyde

2-(2-pyridin-3-ylethynyl)benzaldehyde (PubChem CID 163461289) has the molecular formula C14H9NO and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(2-pyridin-3-ylethynyl)benzaldehyde.

Molecular Properties

Compound Name2-(2-pyridin-3-ylethynyl)benzaldehyde
PubChem CID163461289
Molecular FormulaC14H9NO
Molecular Weight207.23 g/mol
Exact Mass207.07
IUPAC Name2-(2-pyridin-3-ylethynyl)benzaldehyde
SMILESO=Cc1ccccc1C#Cc1cccnc1
InChIInChI=1S/C14H9NO/c16-11-14-6-2-1-5-13(14)8-7-12-4-3-9-15-10-12/h1-6,9-11H
InChIKeyBOUGOXHMACOUTR-UHFFFAOYSA-N
XLogP2.29
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-naphthalen-1-ylethynyl)pyridine
CID 18947806
2-(2-thiophen-3-ylethynyl)benzaldehyde
CID 125484862
3-pyridin-3-ylprop-2-ynoic acid;hydrochloride
CID 119081448
3-[2-[4-[4-(2-pyridin-3-ylethynyl)phenyl]phenyl]ethynyl]pyridine
CID 71527861
5-[(E)-2-phenylethenyl]-2-(2-pyridin-3-ylethynyl)pyrimidine
CID 11500155
3-[2-(4-methylphenyl)ethynyl]pyridine
CID 11252533
2-pyridin-3-ylethynylboronic acid
CID 57416299
2-hydroxybenzaldehyde;pyridine-3-carboxylic acid
CID 158573582
2-[2-(2-methoxyphenyl)ethynyl]benzaldehyde
CID 25215814
N-[(6-phenyl-3-pyridinyl)methyl]-N-[2-(2-pyridin-3-ylethynyl)phenyl]formamide
CID 175843188
2-[2-(furan-2-yl)ethynyl]benzaldehyde
CID 10821708
5-fluoro-2-(2-phenylethynyl)benzaldehyde
CID 46237651

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-3-ylethynyl)benzaldehyde?
The IUPAC name of 2-(2-pyridin-3-ylethynyl)benzaldehyde (CID 163461289) is 2-(2-pyridin-3-ylethynyl)benzaldehyde.
What is the SMILES notation for 2-(2-pyridin-3-ylethynyl)benzaldehyde?
The canonical SMILES for 2-(2-pyridin-3-ylethynyl)benzaldehyde is O=Cc1ccccc1C#Cc1cccnc1.
What is the InChIKey of 2-(2-pyridin-3-ylethynyl)benzaldehyde?
The InChIKey is BOUGOXHMACOUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO/c16-11-14-6-2-1-5-13(14)8-7-12-4-3-9-15-10-12/h1-6,9-11H.
What are the key properties of 2-(2-pyridin-3-ylethynyl)benzaldehyde?
2-(2-pyridin-3-ylethynyl)benzaldehyde has a molecular weight of 207.23 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-3-ylethynyl)benzaldehyde is sourced from PubChem (CID 163461289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).