4-furo[3,2-c]pyridin-4-ylbenzaldehyde

C14H9NO2 — CID 166900578

IUPAC4-furo[3,2-c]pyridin-4-ylbenzaldehyde
SMILESO=Cc1ccc(-c2nccc3occc23)cc1
InChIInChI=1S/C14H9NO2/c16-9-10-1-3-11(4-2-10)14-12-6-8-17-13(12)5-7-15-14/h1-9H
InChIKeyNDSHERZHULAATB-UHFFFAOYSA-N
MW223.23 g/mol
LogP3.31
Rot. Bonds2

About 4-furo[3,2-c]pyridin-4-ylbenzaldehyde

4-furo[3,2-c]pyridin-4-ylbenzaldehyde (PubChem CID 166900578) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-furo[3,2-c]pyridin-4-ylbenzaldehyde.

Molecular Properties

Compound Name4-furo[3,2-c]pyridin-4-ylbenzaldehyde
PubChem CID166900578
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name4-furo[3,2-c]pyridin-4-ylbenzaldehyde
SMILESO=Cc1ccc(-c2nccc3occc23)cc1
InChIInChI=1S/C14H9NO2/c16-9-10-1-3-11(4-2-10)14-12-6-8-17-13(12)5-7-15-14/h1-9H
InChIKeyNDSHERZHULAATB-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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Frequently Asked Questions

What is the IUPAC name of 4-furo[3,2-c]pyridin-4-ylbenzaldehyde?
The IUPAC name of 4-furo[3,2-c]pyridin-4-ylbenzaldehyde (CID 166900578) is 4-furo[3,2-c]pyridin-4-ylbenzaldehyde.
What is the SMILES notation for 4-furo[3,2-c]pyridin-4-ylbenzaldehyde?
The canonical SMILES for 4-furo[3,2-c]pyridin-4-ylbenzaldehyde is O=Cc1ccc(-c2nccc3occc23)cc1.
What is the InChIKey of 4-furo[3,2-c]pyridin-4-ylbenzaldehyde?
The InChIKey is NDSHERZHULAATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c16-9-10-1-3-11(4-2-10)14-12-6-8-17-13(12)5-7-15-14/h1-9H.
What are the key properties of 4-furo[3,2-c]pyridin-4-ylbenzaldehyde?
4-furo[3,2-c]pyridin-4-ylbenzaldehyde 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 4-furo[3,2-c]pyridin-4-ylbenzaldehyde is sourced from PubChem (CID 166900578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).