6-(1-benzofuran-2-yl)pyridine-2-carbaldehyde

C14H9NO2 — CID 86672842

IUPAC6-(1-benzofuran-2-yl)pyridine-2-carbaldehyde
SMILESO=Cc1cccc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C14H9NO2/c16-9-11-5-3-6-12(15-11)14-8-10-4-1-2-7-13(10)17-14/h1-9H
InChIKeyUOQJAWZXKOZKCF-UHFFFAOYSA-N
MW223.23 g/mol
LogP3.31
Rot. Bonds2

About 6-(1-benzofuran-2-yl)pyridine-2-carbaldehyde

6-(1-benzofuran-2-yl)pyridine-2-carbaldehyde (PubChem CID 86672842) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)pyridine-2-carbaldehyde
PubChem CID86672842
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name6-(1-benzofuran-2-yl)pyridine-2-carbaldehyde
SMILESO=Cc1cccc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C14H9NO2/c16-9-11-5-3-6-12(15-11)14-8-10-4-1-2-7-13(10)17-14/h1-9H
InChIKeyUOQJAWZXKOZKCF-UHFFFAOYSA-N
XLogP3.31
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221
2-(1-benzofuran-2-yl)-6-chlorobenzaldehyde
CID 170403113
6-(1-benzofuran-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533402
2-(1-benzofuran-2-yl)-5-(2,6-dimethylmorpholin-4-yl)pyridine-4-carbaldehyde
CID 123145353
1-benzofuran-2-carbaldehyde;methanamine
CID 143075109
6-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbaldehyde
CID 133093639
2-(1-benzofuran-2-yl)-6-chloroimidazo[1,2-a]pyridine
CID 3614378
2-amino-4-(1-benzofuran-2-yl)-1H-1,3-diazepine-6,7-dione
CID 135958416
2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
CID 67296045
2-(1-benzofuran-2-yl)-1,3-benzoxazole
CID 9323121
2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine
CID 176645637
3,6-bis(1-benzofuran-2-yl)imidazo[2,1-b][1,3]thiazole
CID 155556116

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)pyridine-2-carbaldehyde?
The IUPAC name of 6-(1-benzofuran-2-yl)pyridine-2-carbaldehyde (CID 86672842) is 6-(1-benzofuran-2-yl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(1-benzofuran-2-yl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-(1-benzofuran-2-yl)pyridine-2-carbaldehyde is O=Cc1cccc(-c2cc3ccccc3o2)n1.
What is the InChIKey of 6-(1-benzofuran-2-yl)pyridine-2-carbaldehyde?
The InChIKey is UOQJAWZXKOZKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c16-9-11-5-3-6-12(15-11)14-8-10-4-1-2-7-13(10)17-14/h1-9H.
What are the key properties of 6-(1-benzofuran-2-yl)pyridine-2-carbaldehyde?
6-(1-benzofuran-2-yl)pyridine-2-carbaldehyde has a molecular weight of 223.23 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)pyridine-2-carbaldehyde is sourced from PubChem (CID 86672842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).