4-bromo-1-phosphanylimidazole-2-carbaldehyde

C4H4BrN2OP — CID 126658885

IUPAC4-bromo-1-phosphanylimidazole-2-carbaldehyde
SMILESO=Cc1nc(Br)cn1P
InChIInChI=1S/C4H4BrN2OP/c5-3-1-7(9)4(2-8)6-3/h1-2H,9H2
InChIKeyGGHSSMAYAGLLJH-UHFFFAOYSA-N
MW206.97 g/mol
LogP1.10
Rot. Bonds1

About 4-bromo-1-phosphanylimidazole-2-carbaldehyde

4-bromo-1-phosphanylimidazole-2-carbaldehyde (PubChem CID 126658885) has the molecular formula C4H4BrN2OP and a molecular weight of 206.97 g/mol. Its IUPAC name is 4-bromo-1-phosphanylimidazole-2-carbaldehyde.

Molecular Properties

Compound Name4-bromo-1-phosphanylimidazole-2-carbaldehyde
PubChem CID126658885
Molecular FormulaC4H4BrN2OP
Molecular Weight206.97 g/mol
Exact Mass205.92
IUPAC Name4-bromo-1-phosphanylimidazole-2-carbaldehyde
SMILESO=Cc1nc(Br)cn1P
InChIInChI=1S/C4H4BrN2OP/c5-3-1-7(9)4(2-8)6-3/h1-2H,9H2
InChIKeyGGHSSMAYAGLLJH-UHFFFAOYSA-N
XLogP1.10
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.97
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-phosphanylimidazole-2-carbaldehyde?
The IUPAC name of 4-bromo-1-phosphanylimidazole-2-carbaldehyde (CID 126658885) is 4-bromo-1-phosphanylimidazole-2-carbaldehyde.
What is the SMILES notation for 4-bromo-1-phosphanylimidazole-2-carbaldehyde?
The canonical SMILES for 4-bromo-1-phosphanylimidazole-2-carbaldehyde is O=Cc1nc(Br)cn1P.
What is the InChIKey of 4-bromo-1-phosphanylimidazole-2-carbaldehyde?
The InChIKey is GGHSSMAYAGLLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrN2OP/c5-3-1-7(9)4(2-8)6-3/h1-2H,9H2.
What are the key properties of 4-bromo-1-phosphanylimidazole-2-carbaldehyde?
4-bromo-1-phosphanylimidazole-2-carbaldehyde has a molecular weight of 206.97 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-phosphanylimidazole-2-carbaldehyde is sourced from PubChem (CID 126658885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).