5-fluoro-3-nitro-2H-pyrrole

C4H3FN2O2 — CID 174653534

IUPAC5-fluoro-3-nitro-2H-pyrrole
SMILESO=[N+]([O-])C1=CC(F)=NC1
InChIInChI=1S/C4H3FN2O2/c5-4-1-3(2-6-4)7(8)9/h1H,2H2
InChIKeyLZJOGKZYERFXOW-UHFFFAOYSA-N
MW130.08 g/mol
LogP0.53
Rot. Bonds1

About 5-fluoro-3-nitro-2H-pyrrole

5-fluoro-3-nitro-2H-pyrrole (PubChem CID 174653534) has the molecular formula C4H3FN2O2 and a molecular weight of 130.08 g/mol. Its IUPAC name is 5-fluoro-3-nitro-2H-pyrrole.

Molecular Properties

Compound Name5-fluoro-3-nitro-2H-pyrrole
PubChem CID174653534
Molecular FormulaC4H3FN2O2
Molecular Weight130.08 g/mol
Exact Mass130.02
IUPAC Name5-fluoro-3-nitro-2H-pyrrole
SMILESO=[N+]([O-])C1=CC(F)=NC1
InChIInChI=1S/C4H3FN2O2/c5-4-1-3(2-6-4)7(8)9/h1H,2H2
InChIKeyLZJOGKZYERFXOW-UHFFFAOYSA-N
XLogP0.53
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.08
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-nitro-2H-pyrrole?
The IUPAC name of 5-fluoro-3-nitro-2H-pyrrole (CID 174653534) is 5-fluoro-3-nitro-2H-pyrrole.
What is the SMILES notation for 5-fluoro-3-nitro-2H-pyrrole?
The canonical SMILES for 5-fluoro-3-nitro-2H-pyrrole is O=[N+]([O-])C1=CC(F)=NC1.
What is the InChIKey of 5-fluoro-3-nitro-2H-pyrrole?
The InChIKey is LZJOGKZYERFXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2O2/c5-4-1-3(2-6-4)7(8)9/h1H,2H2.
What are the key properties of 5-fluoro-3-nitro-2H-pyrrole?
5-fluoro-3-nitro-2H-pyrrole has a molecular weight of 130.08 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-nitro-2H-pyrrole is sourced from PubChem (CID 174653534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).