5-nitrofuran-2-carbaldehyde

C5H3NO4 — CID 12774

IUPAC5-nitrofuran-2-carbaldehyde
SMILESO=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C5H3NO4/c7-3-4-1-2-5(10-4)6(8)9/h1-3H
InChIKeySXINBFXPADXIEY-UHFFFAOYSA-N
MW141.08 g/mol
LogP1.00
Rot. Bonds2

About 5-nitrofuran-2-carbaldehyde

5-nitrofuran-2-carbaldehyde (PubChem CID 12774) has the molecular formula C5H3NO4 and a molecular weight of 141.08 g/mol. Its IUPAC name is 5-nitrofuran-2-carbaldehyde.

Molecular Properties

Compound Name5-nitrofuran-2-carbaldehyde
PubChem CID12774
Molecular FormulaC5H3NO4
Molecular Weight141.08 g/mol
Exact Mass141.01
IUPAC Name5-nitrofuran-2-carbaldehyde
SMILESO=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C5H3NO4/c7-3-4-1-2-5(10-4)6(8)9/h1-3H
InChIKeySXINBFXPADXIEY-UHFFFAOYSA-N
XLogP1.00
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.08
LogP ≤ 51.00
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

3-(5-Nitro-2-furyl)acrylic acid
CID 702695
5-Nitro-2-furanmethanediol diacetate
CID 7097
Ethyl 3-(5-nitro-2-furyl)acrylate
CID 899314
Nifurmerone
CID 21753
Methyl 5-nitro-2-furoate
CID 94882
5-Nitrofuryl-2-acrolein
CID 5462962
2-(Methoxymethyl)-5-nitrofuran
CID 11469
2-Nitro-5-((1E)-2-nitroethenyl)furan
CID 5355406
2-Acetyl-5-nitrofuran
CID 21348
5-Nitro-2-Furoic Acid
CID 12577
5-Nitrofurfuryl alcohol
CID 17230
Ethyl 5-nitro-2-furoate
CID 70341

Frequently Asked Questions

What is the IUPAC name of 5-nitrofuran-2-carbaldehyde?
The IUPAC name of 5-nitrofuran-2-carbaldehyde (CID 12774) is 5-nitrofuran-2-carbaldehyde.
What is the SMILES notation for 5-nitrofuran-2-carbaldehyde?
The canonical SMILES for 5-nitrofuran-2-carbaldehyde is O=Cc1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitrofuran-2-carbaldehyde?
The InChIKey is SXINBFXPADXIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3NO4/c7-3-4-1-2-5(10-4)6(8)9/h1-3H.
What are the key properties of 5-nitrofuran-2-carbaldehyde?
5-nitrofuran-2-carbaldehyde has a molecular weight of 141.08 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitrofuran-2-carbaldehyde is sourced from PubChem (CID 12774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).