1-(2-fluorophenyl)-3-(2-iodophenyl)pyrazole-4-carbaldehyde

C16H10FIN2O — CID 63162668

IUPAC1-(2-fluorophenyl)-3-(2-iodophenyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccccc2F)nc1-c1ccccc1I
InChIInChI=1S/C16H10FIN2O/c17-13-6-2-4-8-15(13)20-9-11(10-21)16(19-20)12-5-1-3-7-14(12)18/h1-10H
InChIKeyGXYFXMDOUURYKM-UHFFFAOYSA-N
MW392.17 g/mol
LogP4.10
Rot. Bonds3

About 1-(2-fluorophenyl)-3-(2-iodophenyl)pyrazole-4-carbaldehyde

1-(2-fluorophenyl)-3-(2-iodophenyl)pyrazole-4-carbaldehyde (PubChem CID 63162668) has the molecular formula C16H10FIN2O and a molecular weight of 392.17 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(2-iodophenyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(2-iodophenyl)pyrazole-4-carbaldehyde
PubChem CID63162668
Molecular FormulaC16H10FIN2O
Molecular Weight392.17 g/mol
Exact Mass391.98
IUPAC Name1-(2-fluorophenyl)-3-(2-iodophenyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccccc2F)nc1-c1ccccc1I
InChIInChI=1S/C16H10FIN2O/c17-13-6-2-4-8-15(13)20-9-11(10-21)16(19-20)12-5-1-3-7-14(12)18/h1-10H
InChIKeyGXYFXMDOUURYKM-UHFFFAOYSA-N
XLogP4.10
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.17
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(2-iodophenyl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(2-fluorophenyl)-3-(2-iodophenyl)pyrazole-4-carbaldehyde (CID 63162668) is 1-(2-fluorophenyl)-3-(2-iodophenyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(2-iodophenyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(2-fluorophenyl)-3-(2-iodophenyl)pyrazole-4-carbaldehyde is O=Cc1cn(-c2ccccc2F)nc1-c1ccccc1I.
What is the InChIKey of 1-(2-fluorophenyl)-3-(2-iodophenyl)pyrazole-4-carbaldehyde?
The InChIKey is GXYFXMDOUURYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FIN2O/c17-13-6-2-4-8-15(13)20-9-11(10-21)16(19-20)12-5-1-3-7-14(12)18/h1-10H.
What are the key properties of 1-(2-fluorophenyl)-3-(2-iodophenyl)pyrazole-4-carbaldehyde?
1-(2-fluorophenyl)-3-(2-iodophenyl)pyrazole-4-carbaldehyde has a molecular weight of 392.17 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(2-iodophenyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 63162668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).