3-azido-4-fluoro-1H-pyrrole

C4H3FN4 — CID 141432351

IUPAC3-azido-4-fluoro-1H-pyrrole
SMILES[N-]=[N+]=Nc1c[nH]cc1F
InChIInChI=1S/C4H3FN4/c5-3-1-7-2-4(3)8-9-6/h1-2,7H
InChIKeyXHYCNKQMGFUGEV-UHFFFAOYSA-N
MW126.09 g/mol
LogP2.10
Rot. Bonds1

About 3-azido-4-fluoro-1H-pyrrole

3-azido-4-fluoro-1H-pyrrole (PubChem CID 141432351) has the molecular formula C4H3FN4 and a molecular weight of 126.09 g/mol. Its IUPAC name is 3-azido-4-fluoro-1H-pyrrole.

Molecular Properties

Compound Name3-azido-4-fluoro-1H-pyrrole
PubChem CID141432351
Molecular FormulaC4H3FN4
Molecular Weight126.09 g/mol
Exact Mass126.03
IUPAC Name3-azido-4-fluoro-1H-pyrrole
SMILES[N-]=[N+]=Nc1c[nH]cc1F
InChIInChI=1S/C4H3FN4/c5-3-1-7-2-4(3)8-9-6/h1-2,7H
InChIKeyXHYCNKQMGFUGEV-UHFFFAOYSA-N
XLogP2.10
TPSA64.55 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.09
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-azido-4-fluoro-1H-pyrrole?
The IUPAC name of 3-azido-4-fluoro-1H-pyrrole (CID 141432351) is 3-azido-4-fluoro-1H-pyrrole.
What is the SMILES notation for 3-azido-4-fluoro-1H-pyrrole?
The canonical SMILES for 3-azido-4-fluoro-1H-pyrrole is [N-]=[N+]=Nc1c[nH]cc1F.
What is the InChIKey of 3-azido-4-fluoro-1H-pyrrole?
The InChIKey is XHYCNKQMGFUGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN4/c5-3-1-7-2-4(3)8-9-6/h1-2,7H.
What are the key properties of 3-azido-4-fluoro-1H-pyrrole?
3-azido-4-fluoro-1H-pyrrole has a molecular weight of 126.09 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-4-fluoro-1H-pyrrole is sourced from PubChem (CID 141432351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).