4-fluoro-5-iodo-1H-pyrazole

C3H2FIN2 — CID 86052945

IUPAC4-fluoro-5-iodo-1H-pyrazole
SMILESFc1cn[nH]c1I
InChIInChI=1S/C3H2FIN2/c4-2-1-6-7-3(2)5/h1H,(H,6,7)
InChIKeyXPNAEMIKNVCSTP-UHFFFAOYSA-N
MW211.97 g/mol
LogP1.15
Rot. Bonds

About 4-fluoro-5-iodo-1H-pyrazole

4-fluoro-5-iodo-1H-pyrazole (PubChem CID 86052945) has the molecular formula C3H2FIN2 and a molecular weight of 211.97 g/mol. Its IUPAC name is 4-fluoro-5-iodo-1H-pyrazole.

Molecular Properties

Compound Name4-fluoro-5-iodo-1H-pyrazole
PubChem CID86052945
Molecular FormulaC3H2FIN2
Molecular Weight211.97 g/mol
Exact Mass211.92
IUPAC Name4-fluoro-5-iodo-1H-pyrazole
SMILESFc1cn[nH]c1I
InChIInChI=1S/C3H2FIN2/c4-2-1-6-7-3(2)5/h1H,(H,6,7)
InChIKeyXPNAEMIKNVCSTP-UHFFFAOYSA-N
XLogP1.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.97
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-1H-pyrazole?
The IUPAC name of 4-fluoro-5-iodo-1H-pyrazole (CID 86052945) is 4-fluoro-5-iodo-1H-pyrazole.
What is the SMILES notation for 4-fluoro-5-iodo-1H-pyrazole?
The canonical SMILES for 4-fluoro-5-iodo-1H-pyrazole is Fc1cn[nH]c1I.
What is the InChIKey of 4-fluoro-5-iodo-1H-pyrazole?
The InChIKey is XPNAEMIKNVCSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2FIN2/c4-2-1-6-7-3(2)5/h1H,(H,6,7).
What are the key properties of 4-fluoro-5-iodo-1H-pyrazole?
4-fluoro-5-iodo-1H-pyrazole has a molecular weight of 211.97 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-1H-pyrazole is sourced from PubChem (CID 86052945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).