6-bromo-1-iodophosphanyl-N-(oxan-4-yl)indazol-3-amine

C12H14BrIN3OP — CID 143953623

IUPAC6-bromo-1-iodophosphanyl-N-(oxan-4-yl)indazol-3-amine
SMILESBrc1ccc2c(NC3CCOCC3)nn(PI)c2c1
InChIInChI=1S/C12H14BrIN3OP/c13-8-1-2-10-11(7-8)17(19-14)16-12(10)15-9-3-5-18-6-4-9/h1-2,7,9,19H,3-6H2,(H,15,16)
InChIKeyVNWRAVWIMYVIFU-UHFFFAOYSA-N
MW454.05 g/mol
LogP4.18
Rot. Bonds3

About 6-bromo-1-iodophosphanyl-N-(oxan-4-yl)indazol-3-amine

6-bromo-1-iodophosphanyl-N-(oxan-4-yl)indazol-3-amine (PubChem CID 143953623) has the molecular formula C12H14BrIN3OP and a molecular weight of 454.05 g/mol. Its IUPAC name is 6-bromo-1-iodophosphanyl-N-(oxan-4-yl)indazol-3-amine.

Molecular Properties

Compound Name6-bromo-1-iodophosphanyl-N-(oxan-4-yl)indazol-3-amine
PubChem CID143953623
Molecular FormulaC12H14BrIN3OP
Molecular Weight454.05 g/mol
Exact Mass452.91
IUPAC Name6-bromo-1-iodophosphanyl-N-(oxan-4-yl)indazol-3-amine
SMILESBrc1ccc2c(NC3CCOCC3)nn(PI)c2c1
InChIInChI=1S/C12H14BrIN3OP/c13-8-1-2-10-11(7-8)17(19-14)16-12(10)15-9-3-5-18-6-4-9/h1-2,7,9,19H,3-6H2,(H,15,16)
InChIKeyVNWRAVWIMYVIFU-UHFFFAOYSA-N
XLogP4.18
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.05
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-bromo-1-iodophosphanyl-N-(oxan-4-yl)indazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-iodophosphanyl-N-(oxan-4-yl)indazol-3-amine?
The IUPAC name of 6-bromo-1-iodophosphanyl-N-(oxan-4-yl)indazol-3-amine (CID 143953623) is 6-bromo-1-iodophosphanyl-N-(oxan-4-yl)indazol-3-amine.
What is the SMILES notation for 6-bromo-1-iodophosphanyl-N-(oxan-4-yl)indazol-3-amine?
The canonical SMILES for 6-bromo-1-iodophosphanyl-N-(oxan-4-yl)indazol-3-amine is Brc1ccc2c(NC3CCOCC3)nn(PI)c2c1.
What is the InChIKey of 6-bromo-1-iodophosphanyl-N-(oxan-4-yl)indazol-3-amine?
The InChIKey is VNWRAVWIMYVIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrIN3OP/c13-8-1-2-10-11(7-8)17(19-14)16-12(10)15-9-3-5-18-6-4-9/h1-2,7,9,19H,3-6H2,(H,15,16).
What are the key properties of 6-bromo-1-iodophosphanyl-N-(oxan-4-yl)indazol-3-amine?
6-bromo-1-iodophosphanyl-N-(oxan-4-yl)indazol-3-amine has a molecular weight of 454.05 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-iodophosphanyl-N-(oxan-4-yl)indazol-3-amine is sourced from PubChem (CID 143953623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).