5-[(4-chlorophenyl)iminomethyl]furan-2-carbaldehyde

C12H8ClNO2 — CID 12648082

IUPAC5-[(4-chlorophenyl)iminomethyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(/C=N/c2ccc(Cl)cc2)o1
InChIInChI=1S/C12H8ClNO2/c13-9-1-3-10(4-2-9)14-7-11-5-6-12(8-15)16-11/h1-8H/b14-7+
InChIKeyHGTGHXJCUALATD-VGOFMYFVSA-N
MW233.65 g/mol
LogP3.50
Rot. Bonds3

About 5-[(4-chlorophenyl)iminomethyl]furan-2-carbaldehyde

5-[(4-chlorophenyl)iminomethyl]furan-2-carbaldehyde (PubChem CID 12648082) has the molecular formula C12H8ClNO2 and a molecular weight of 233.65 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)iminomethyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[(4-chlorophenyl)iminomethyl]furan-2-carbaldehyde
PubChem CID12648082
Molecular FormulaC12H8ClNO2
Molecular Weight233.65 g/mol
Exact Mass233.02
IUPAC Name5-[(4-chlorophenyl)iminomethyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(/C=N/c2ccc(Cl)cc2)o1
InChIInChI=1S/C12H8ClNO2/c13-9-1-3-10(4-2-9)14-7-11-5-6-12(8-15)16-11/h1-8H/b14-7+
InChIKeyHGTGHXJCUALATD-VGOFMYFVSA-N
XLogP3.50
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)iminomethyl]furan-2-carbaldehyde?
The IUPAC name of 5-[(4-chlorophenyl)iminomethyl]furan-2-carbaldehyde (CID 12648082) is 5-[(4-chlorophenyl)iminomethyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[(4-chlorophenyl)iminomethyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[(4-chlorophenyl)iminomethyl]furan-2-carbaldehyde is O=Cc1ccc(/C=N/c2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[(4-chlorophenyl)iminomethyl]furan-2-carbaldehyde?
The InChIKey is HGTGHXJCUALATD-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H8ClNO2/c13-9-1-3-10(4-2-9)14-7-11-5-6-12(8-15)16-11/h1-8H/b14-7+.
What are the key properties of 5-[(4-chlorophenyl)iminomethyl]furan-2-carbaldehyde?
5-[(4-chlorophenyl)iminomethyl]furan-2-carbaldehyde has a molecular weight of 233.65 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)iminomethyl]furan-2-carbaldehyde is sourced from PubChem (CID 12648082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).