5-(2-chloro-4-nitrophenyl)furan-2-carbaldehyde

C11H6ClNO4 — CID 619653

IUPAC5-(2-chloro-4-nitrophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1
InChIInChI=1S/C11H6ClNO4/c12-10-5-7(13(15)16)1-3-9(10)11-4-2-8(6-14)17-11/h1-6H
InChIKeyYLWXKADRQFEWGM-UHFFFAOYSA-N
MW251.63 g/mol
LogP3.32
Rot. Bonds3

About 5-(2-chloro-4-nitrophenyl)furan-2-carbaldehyde

5-(2-chloro-4-nitrophenyl)furan-2-carbaldehyde (PubChem CID 619653) has the molecular formula C11H6ClNO4 and a molecular weight of 251.63 g/mol. Its IUPAC name is 5-(2-chloro-4-nitrophenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-chloro-4-nitrophenyl)furan-2-carbaldehyde
PubChem CID619653
Molecular FormulaC11H6ClNO4
Molecular Weight251.63 g/mol
Exact Mass251.00
IUPAC Name5-(2-chloro-4-nitrophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1
InChIInChI=1S/C11H6ClNO4/c12-10-5-7(13(15)16)1-3-9(10)11-4-2-8(6-14)17-11/h1-6H
InChIKeyYLWXKADRQFEWGM-UHFFFAOYSA-N
XLogP3.32
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.63
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-nitrophenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(2-chloro-4-nitrophenyl)furan-2-carbaldehyde (CID 619653) is 5-(2-chloro-4-nitrophenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2-chloro-4-nitrophenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(2-chloro-4-nitrophenyl)furan-2-carbaldehyde is O=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1.
What is the InChIKey of 5-(2-chloro-4-nitrophenyl)furan-2-carbaldehyde?
The InChIKey is YLWXKADRQFEWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClNO4/c12-10-5-7(13(15)16)1-3-9(10)11-4-2-8(6-14)17-11/h1-6H.
What are the key properties of 5-(2-chloro-4-nitrophenyl)furan-2-carbaldehyde?
5-(2-chloro-4-nitrophenyl)furan-2-carbaldehyde has a molecular weight of 251.63 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-nitrophenyl)furan-2-carbaldehyde is sourced from PubChem (CID 619653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).