5-(2-bromo-4-fluoro-5-nitrophenyl)furan-2-carbaldehyde

C11H5BrFNO4 — CID 169333305

IUPAC5-(2-bromo-4-fluoro-5-nitrophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc([N+](=O)[O-])c(F)cc2Br)o1
InChIInChI=1S/C11H5BrFNO4/c12-8-4-9(13)10(14(16)17)3-7(8)11-2-1-6(5-15)18-11/h1-5H
InChIKeyIAOHQEXZNHUXIK-UHFFFAOYSA-N
MW314.07 g/mol
LogP3.57
Rot. Bonds3

About 5-(2-bromo-4-fluoro-5-nitrophenyl)furan-2-carbaldehyde

5-(2-bromo-4-fluoro-5-nitrophenyl)furan-2-carbaldehyde (PubChem CID 169333305) has the molecular formula C11H5BrFNO4 and a molecular weight of 314.07 g/mol. Its IUPAC name is 5-(2-bromo-4-fluoro-5-nitrophenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-bromo-4-fluoro-5-nitrophenyl)furan-2-carbaldehyde
PubChem CID169333305
Molecular FormulaC11H5BrFNO4
Molecular Weight314.07 g/mol
Exact Mass312.94
IUPAC Name5-(2-bromo-4-fluoro-5-nitrophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc([N+](=O)[O-])c(F)cc2Br)o1
InChIInChI=1S/C11H5BrFNO4/c12-8-4-9(13)10(14(16)17)3-7(8)11-2-1-6(5-15)18-11/h1-5H
InChIKeyIAOHQEXZNHUXIK-UHFFFAOYSA-N
XLogP3.57
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.07
LogP ≤ 53.57
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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Related Compounds

5-(2,4-dimethyl-5-nitrophenyl)furan-2-carbaldehyde
CID 3470512
5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 169334657
5-(4-tert-butyl-2-nitrophenyl)furan-2-carbaldehyde
CID 169331711
5-(2,4-dimethoxy-3-methyl-5-nitrophenyl)furan-2-carbaldehyde
CID 169332956
5-(2-bromo-3,5-difluorophenyl)furan-2-carbaldehyde
CID 169332004
5-(5-chloro-2-hydroxy-3-nitrophenyl)furan-2-carbaldehyde
CID 169331889
5-(2-hydroxy-5-methyl-3-nitrophenyl)furan-2-carbaldehyde
CID 169334795
5-(4-bromo-2-nitro-5-pentoxyphenyl)furan-2-carbaldehyde
CID 169332687
5-(2-bromo-5-methylphenyl)furan-2-carbaldehyde
CID 82767033
5-(2-bromo-5-iodophenyl)furan-2-carbaldehyde
CID 130499478
5-(3-bromo-5-fluoro-2-iodophenyl)furan-2-carbaldehyde
CID 169335394
5-(2-nitro-5-phenylsulfanylphenyl)furan-2-carbaldehyde
CID 169331909

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-fluoro-5-nitrophenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(2-bromo-4-fluoro-5-nitrophenyl)furan-2-carbaldehyde (CID 169333305) is 5-(2-bromo-4-fluoro-5-nitrophenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2-bromo-4-fluoro-5-nitrophenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(2-bromo-4-fluoro-5-nitrophenyl)furan-2-carbaldehyde is O=Cc1ccc(-c2cc([N+](=O)[O-])c(F)cc2Br)o1.
What is the InChIKey of 5-(2-bromo-4-fluoro-5-nitrophenyl)furan-2-carbaldehyde?
The InChIKey is IAOHQEXZNHUXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrFNO4/c12-8-4-9(13)10(14(16)17)3-7(8)11-2-1-6(5-15)18-11/h1-5H.
What are the key properties of 5-(2-bromo-4-fluoro-5-nitrophenyl)furan-2-carbaldehyde?
5-(2-bromo-4-fluoro-5-nitrophenyl)furan-2-carbaldehyde has a molecular weight of 314.07 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-fluoro-5-nitrophenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169333305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).