[2-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methanol

C10H8FIN2O — CID 164719153

IUPAC[2-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methanol
SMILESOCc1ccnn1-c1ccc(F)cc1I
InChIInChI=1S/C10H8FIN2O/c11-7-1-2-10(9(12)5-7)14-8(6-15)3-4-13-14/h1-5,15H,6H2
InChIKeyUJEIRWHNKCMWIT-UHFFFAOYSA-N
MW318.09 g/mol
LogP2.11
Rot. Bonds2

About [2-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methanol

[2-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methanol (PubChem CID 164719153) has the molecular formula C10H8FIN2O and a molecular weight of 318.09 g/mol. Its IUPAC name is [2-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[2-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methanol
PubChem CID164719153
Molecular FormulaC10H8FIN2O
Molecular Weight318.09 g/mol
Exact Mass317.97
IUPAC Name[2-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methanol
SMILESOCc1ccnn1-c1ccc(F)cc1I
InChIInChI=1S/C10H8FIN2O/c11-7-1-2-10(9(12)5-7)14-8(6-15)3-4-13-14/h1-5,15H,6H2
InChIKeyUJEIRWHNKCMWIT-UHFFFAOYSA-N
XLogP2.11
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.09
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methanol?
The IUPAC name of [2-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methanol (CID 164719153) is [2-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [2-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methanol?
The canonical SMILES for [2-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methanol is OCc1ccnn1-c1ccc(F)cc1I.
What is the InChIKey of [2-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methanol?
The InChIKey is UJEIRWHNKCMWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FIN2O/c11-7-1-2-10(9(12)5-7)14-8(6-15)3-4-13-14/h1-5,15H,6H2.
What are the key properties of [2-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methanol?
[2-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methanol has a molecular weight of 318.09 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 164719153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).