2,4-dinitrofuran

C4H2N2O5 — CID 119095399

IUPAC2,4-dinitrofuran
SMILESO=[N+]([O-])c1coc([N+](=O)[O-])c1
InChIInChI=1S/C4H2N2O5/c7-5(8)3-1-4(6(9)10)11-2-3/h1-2H
InChIKeySDLPKZAWPTWSEV-UHFFFAOYSA-N
MW158.07 g/mol
LogP1.10
Rot. Bonds2

About 2,4-dinitrofuran

2,4-dinitrofuran (PubChem CID 119095399) has the molecular formula C4H2N2O5 and a molecular weight of 158.07 g/mol. Its IUPAC name is 2,4-dinitrofuran.

Molecular Properties

Compound Name2,4-dinitrofuran
PubChem CID119095399
Molecular FormulaC4H2N2O5
Molecular Weight158.07 g/mol
Exact Mass158.00
IUPAC Name2,4-dinitrofuran
SMILESO=[N+]([O-])c1coc([N+](=O)[O-])c1
InChIInChI=1S/C4H2N2O5/c7-5(8)3-1-4(6(9)10)11-2-3/h1-2H
InChIKeySDLPKZAWPTWSEV-UHFFFAOYSA-N
XLogP1.10
TPSA99.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.07
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Nitro-furan
CID 13268157
2-Bromo-3,5-dinitrofuran
CID 12501555
Dinitrofuran
CID 19879835
Furan-2,4-diamine
CID 19935257
3,5-Dinitrofuran-2-amine
CID 329470
Carbamic acid, (5-nitro-3-furanyl)-, ethyl ester
CID 24206886
3-Azido-2-nitrofuran
CID 123647428
4-Amino-4'-nitroazofurane
CID 129796531
Methyl (5-nitro-3-furyl)carbamate
CID 129803324
N-(2-nitrosofuran-3-yl)hydroxylamine
CID 130835152
2-Nitrofuran-3-amine
CID 148616957
3-Nitrofuran-2-amine
CID 149720198

Frequently Asked Questions

What is the IUPAC name of 2,4-dinitrofuran?
The IUPAC name of 2,4-dinitrofuran (CID 119095399) is 2,4-dinitrofuran.
What is the SMILES notation for 2,4-dinitrofuran?
The canonical SMILES for 2,4-dinitrofuran is O=[N+]([O-])c1coc([N+](=O)[O-])c1.
What is the InChIKey of 2,4-dinitrofuran?
The InChIKey is SDLPKZAWPTWSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N2O5/c7-5(8)3-1-4(6(9)10)11-2-3/h1-2H.
What are the key properties of 2,4-dinitrofuran?
2,4-dinitrofuran has a molecular weight of 158.07 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinitrofuran is sourced from PubChem (CID 119095399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).