[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol

C11H10FIN2O — CID 164719380

IUPAC[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol
SMILESCc1cc(CO)n(-c2ccc(F)cc2I)n1
InChIInChI=1S/C11H10FIN2O/c1-7-4-9(6-16)15(14-7)11-3-2-8(12)5-10(11)13/h2-5,16H,6H2,1H3
InChIKeyDCAZVAGPWVLXFZ-UHFFFAOYSA-N
MW332.12 g/mol
LogP2.42
Rot. Bonds2

About [2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol

[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol (PubChem CID 164719380) has the molecular formula C11H10FIN2O and a molecular weight of 332.12 g/mol. Its IUPAC name is [2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol
PubChem CID164719380
Molecular FormulaC11H10FIN2O
Molecular Weight332.12 g/mol
Exact Mass331.98
IUPAC Name[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol
SMILESCc1cc(CO)n(-c2ccc(F)cc2I)n1
InChIInChI=1S/C11H10FIN2O/c1-7-4-9(6-16)15(14-7)11-3-2-8(12)5-10(11)13/h2-5,16H,6H2,1H3
InChIKeyDCAZVAGPWVLXFZ-UHFFFAOYSA-N
XLogP2.42
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.12
LogP ≤ 52.42
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)-5-methylpyrazol-3-yl]methanol?
The IUPAC name of [2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol (CID 164719380) is [2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol.
What is the SMILES notation for [2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol?
The canonical SMILES for [2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol is Cc1cc(CO)n(-c2ccc(F)cc2I)n1.
What is the InChIKey of [2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol?
The InChIKey is DCAZVAGPWVLXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FIN2O/c1-7-4-9(6-16)15(14-7)11-3-2-8(12)5-10(11)13/h2-5,16H,6H2,1H3.
What are the key properties of [2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol?
[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol has a molecular weight of 332.12 g/mol, XLogP of 2.42, 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)-5-methylpyrazol-3-yl]methanol is sourced from PubChem (CID 164719380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).