3-(pyridin-4-ylmethyl)furan-2-carbaldehyde

C11H9NO2 — CID 106886514

IUPAC3-(pyridin-4-ylmethyl)furan-2-carbaldehyde
SMILESO=Cc1occc1Cc1ccncc1
InChIInChI=1S/C11H9NO2/c13-8-11-10(3-6-14-11)7-9-1-4-12-5-2-9/h1-6,8H,7H2
InChIKeyLHKGXNFDCHPECT-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.08
Rot. Bonds3

About 3-(pyridin-4-ylmethyl)furan-2-carbaldehyde

3-(pyridin-4-ylmethyl)furan-2-carbaldehyde (PubChem CID 106886514) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-(pyridin-4-ylmethyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name3-(pyridin-4-ylmethyl)furan-2-carbaldehyde
PubChem CID106886514
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name3-(pyridin-4-ylmethyl)furan-2-carbaldehyde
SMILESO=Cc1occc1Cc1ccncc1
InChIInChI=1S/C11H9NO2/c13-8-11-10(3-6-14-11)7-9-1-4-12-5-2-9/h1-6,8H,7H2
InChIKeyLHKGXNFDCHPECT-UHFFFAOYSA-N
XLogP2.08
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.08
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 3-(pyridin-4-ylmethyl)furan-2-carbaldehyde?
The IUPAC name of 3-(pyridin-4-ylmethyl)furan-2-carbaldehyde (CID 106886514) is 3-(pyridin-4-ylmethyl)furan-2-carbaldehyde.
What is the SMILES notation for 3-(pyridin-4-ylmethyl)furan-2-carbaldehyde?
The canonical SMILES for 3-(pyridin-4-ylmethyl)furan-2-carbaldehyde is O=Cc1occc1Cc1ccncc1.
What is the InChIKey of 3-(pyridin-4-ylmethyl)furan-2-carbaldehyde?
The InChIKey is LHKGXNFDCHPECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c13-8-11-10(3-6-14-11)7-9-1-4-12-5-2-9/h1-6,8H,7H2.
What are the key properties of 3-(pyridin-4-ylmethyl)furan-2-carbaldehyde?
3-(pyridin-4-ylmethyl)furan-2-carbaldehyde has a molecular weight of 187.20 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-4-ylmethyl)furan-2-carbaldehyde is sourced from PubChem (CID 106886514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).