5-bromo-1-iodophosphanylpyrazole-3-carbaldehyde

C4H3BrIN2OP — CID 163295334

IUPAC5-bromo-1-iodophosphanylpyrazole-3-carbaldehyde
SMILESO=Cc1cc(Br)n(PI)n1
InChIInChI=1S/C4H3BrIN2OP/c5-4-1-3(2-9)7-8(4)10-6/h1-2,10H
InChIKeyHNDTYNUJGAWQAX-UHFFFAOYSA-N
MW332.86 g/mol
LogP2.25
Rot. Bonds2

About 5-bromo-1-iodophosphanylpyrazole-3-carbaldehyde

5-bromo-1-iodophosphanylpyrazole-3-carbaldehyde (PubChem CID 163295334) has the molecular formula C4H3BrIN2OP and a molecular weight of 332.86 g/mol. Its IUPAC name is 5-bromo-1-iodophosphanylpyrazole-3-carbaldehyde.

Molecular Properties

Compound Name5-bromo-1-iodophosphanylpyrazole-3-carbaldehyde
PubChem CID163295334
Molecular FormulaC4H3BrIN2OP
Molecular Weight332.86 g/mol
Exact Mass331.82
IUPAC Name5-bromo-1-iodophosphanylpyrazole-3-carbaldehyde
SMILESO=Cc1cc(Br)n(PI)n1
InChIInChI=1S/C4H3BrIN2OP/c5-4-1-3(2-9)7-8(4)10-6/h1-2,10H
InChIKeyHNDTYNUJGAWQAX-UHFFFAOYSA-N
XLogP2.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 52.25
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-iodophosphanylpyrazole-3-carbaldehyde?
The IUPAC name of 5-bromo-1-iodophosphanylpyrazole-3-carbaldehyde (CID 163295334) is 5-bromo-1-iodophosphanylpyrazole-3-carbaldehyde.
What is the SMILES notation for 5-bromo-1-iodophosphanylpyrazole-3-carbaldehyde?
The canonical SMILES for 5-bromo-1-iodophosphanylpyrazole-3-carbaldehyde is O=Cc1cc(Br)n(PI)n1.
What is the InChIKey of 5-bromo-1-iodophosphanylpyrazole-3-carbaldehyde?
The InChIKey is HNDTYNUJGAWQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrIN2OP/c5-4-1-3(2-9)7-8(4)10-6/h1-2,10H.
What are the key properties of 5-bromo-1-iodophosphanylpyrazole-3-carbaldehyde?
5-bromo-1-iodophosphanylpyrazole-3-carbaldehyde has a molecular weight of 332.86 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-iodophosphanylpyrazole-3-carbaldehyde is sourced from PubChem (CID 163295334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).