2-pyridin-4-yl-1-benzofuran-3-carbaldehyde

C14H9NO2 — CID 28966770

IUPAC2-pyridin-4-yl-1-benzofuran-3-carbaldehyde
SMILESO=Cc1c(-c2ccncc2)oc2ccccc12
InChIInChI=1S/C14H9NO2/c16-9-12-11-3-1-2-4-13(11)17-14(12)10-5-7-15-8-6-10/h1-9H
InChIKeyRUPHLWDKHKFGKQ-UHFFFAOYSA-N
MW223.23 g/mol
LogP3.31
Rot. Bonds2

About 2-pyridin-4-yl-1-benzofuran-3-carbaldehyde

2-pyridin-4-yl-1-benzofuran-3-carbaldehyde (PubChem CID 28966770) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-pyridin-4-yl-1-benzofuran-3-carbaldehyde.

Molecular Properties

Compound Name2-pyridin-4-yl-1-benzofuran-3-carbaldehyde
PubChem CID28966770
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name2-pyridin-4-yl-1-benzofuran-3-carbaldehyde
SMILESO=Cc1c(-c2ccncc2)oc2ccccc12
InChIInChI=1S/C14H9NO2/c16-9-12-11-3-1-2-4-13(11)17-14(12)10-5-7-15-8-6-10/h1-9H
InChIKeyRUPHLWDKHKFGKQ-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-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde
CID 12550686
2-(2-bromophenyl)-1-benzofuran-3-carbaldehyde
CID 102367766
sodium 3-formyl-1-benzofuran-2-thiolate
CID 135057802
3-chloro-1-pyridin-4-ylisoquinoline-4-carbaldehyde
CID 23467882
2-phenyl-3-[(E)-2-phenylethenyl]chromen-4-one
CID 15461730
2-pyridin-4-ylsulfanylchromen-4-one
CID 175167725
4-[4-(6-dibenzofuran-2-ylnaphthalen-2-yl)phenyl]pyridine
CID 171056412
4-[3-[3-[3-dibenzofuran-2-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 155116790
4-[3-(hydroxymethyl)-1-benzofuran-2-yl]benzaldehyde
CID 11288201
2-pentyl-1-benzofuran-3-carbaldehyde
CID 87462287
5-phenyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde
CID 3741706
formic acid;4-phenylpyridine
CID 162013415

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-1-benzofuran-3-carbaldehyde?
The IUPAC name of 2-pyridin-4-yl-1-benzofuran-3-carbaldehyde (CID 28966770) is 2-pyridin-4-yl-1-benzofuran-3-carbaldehyde.
What is the SMILES notation for 2-pyridin-4-yl-1-benzofuran-3-carbaldehyde?
The canonical SMILES for 2-pyridin-4-yl-1-benzofuran-3-carbaldehyde is O=Cc1c(-c2ccncc2)oc2ccccc12.
What is the InChIKey of 2-pyridin-4-yl-1-benzofuran-3-carbaldehyde?
The InChIKey is RUPHLWDKHKFGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c16-9-12-11-3-1-2-4-13(11)17-14(12)10-5-7-15-8-6-10/h1-9H.
What are the key properties of 2-pyridin-4-yl-1-benzofuran-3-carbaldehyde?
2-pyridin-4-yl-1-benzofuran-3-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 2-pyridin-4-yl-1-benzofuran-3-carbaldehyde is sourced from PubChem (CID 28966770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).