4-fluoro-1-iodo-3,5-dimethylpyrazole

C5H6FIN2 — CID 129180754

IUPAC4-fluoro-1-iodo-3,5-dimethylpyrazole
SMILESCc1nn(I)c(C)c1F
InChIInChI=1S/C5H6FIN2/c1-3-5(6)4(2)9(7)8-3/h1-2H3
InChIKeyFNOCMLDBRRASGU-UHFFFAOYSA-N
MW240.02 g/mol
LogP1.84
Rot. Bonds

About 4-fluoro-1-iodo-3,5-dimethylpyrazole

4-fluoro-1-iodo-3,5-dimethylpyrazole (PubChem CID 129180754) has the molecular formula C5H6FIN2 and a molecular weight of 240.02 g/mol. Its IUPAC name is 4-fluoro-1-iodo-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-fluoro-1-iodo-3,5-dimethylpyrazole
PubChem CID129180754
Molecular FormulaC5H6FIN2
Molecular Weight240.02 g/mol
Exact Mass239.96
IUPAC Name4-fluoro-1-iodo-3,5-dimethylpyrazole
SMILESCc1nn(I)c(C)c1F
InChIInChI=1S/C5H6FIN2/c1-3-5(6)4(2)9(7)8-3/h1-2H3
InChIKeyFNOCMLDBRRASGU-UHFFFAOYSA-N
XLogP1.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.02
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-1-iodo-3,5-dimethylpyrazole?
The IUPAC name of 4-fluoro-1-iodo-3,5-dimethylpyrazole (CID 129180754) is 4-fluoro-1-iodo-3,5-dimethylpyrazole.
What is the SMILES notation for 4-fluoro-1-iodo-3,5-dimethylpyrazole?
The canonical SMILES for 4-fluoro-1-iodo-3,5-dimethylpyrazole is Cc1nn(I)c(C)c1F.
What is the InChIKey of 4-fluoro-1-iodo-3,5-dimethylpyrazole?
The InChIKey is FNOCMLDBRRASGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FIN2/c1-3-5(6)4(2)9(7)8-3/h1-2H3.
What are the key properties of 4-fluoro-1-iodo-3,5-dimethylpyrazole?
4-fluoro-1-iodo-3,5-dimethylpyrazole has a molecular weight of 240.02 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-iodo-3,5-dimethylpyrazole is sourced from PubChem (CID 129180754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).