1-iodophosphanyl-5-(trifluoromethyl)indazole-4-carbaldehyde

C9H5F3IN2OP — CID 170283460

IUPAC1-iodophosphanyl-5-(trifluoromethyl)indazole-4-carbaldehyde
SMILESO=Cc1c(C(F)(F)F)ccc2c1cnn2PI
InChIInChI=1S/C9H5F3IN2OP/c10-9(11,12)7-1-2-8-5(6(7)4-16)3-14-15(8)17-13/h1-4,17H
InChIKeyLPGLSVBTBNTNPK-UHFFFAOYSA-N
MW372.02 g/mol
LogP3.66
Rot. Bonds2

About 1-iodophosphanyl-5-(trifluoromethyl)indazole-4-carbaldehyde

1-iodophosphanyl-5-(trifluoromethyl)indazole-4-carbaldehyde (PubChem CID 170283460) has the molecular formula C9H5F3IN2OP and a molecular weight of 372.02 g/mol. Its IUPAC name is 1-iodophosphanyl-5-(trifluoromethyl)indazole-4-carbaldehyde.

Molecular Properties

Compound Name1-iodophosphanyl-5-(trifluoromethyl)indazole-4-carbaldehyde
PubChem CID170283460
Molecular FormulaC9H5F3IN2OP
Molecular Weight372.02 g/mol
Exact Mass371.91
IUPAC Name1-iodophosphanyl-5-(trifluoromethyl)indazole-4-carbaldehyde
SMILESO=Cc1c(C(F)(F)F)ccc2c1cnn2PI
InChIInChI=1S/C9H5F3IN2OP/c10-9(11,12)7-1-2-8-5(6(7)4-16)3-14-15(8)17-13/h1-4,17H
InChIKeyLPGLSVBTBNTNPK-UHFFFAOYSA-N
XLogP3.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.02
LogP ≤ 53.66
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 1-iodophosphanyl-5-(trifluoromethyl)indazole-4-carbaldehyde?
The IUPAC name of 1-iodophosphanyl-5-(trifluoromethyl)indazole-4-carbaldehyde (CID 170283460) is 1-iodophosphanyl-5-(trifluoromethyl)indazole-4-carbaldehyde.
What is the SMILES notation for 1-iodophosphanyl-5-(trifluoromethyl)indazole-4-carbaldehyde?
The canonical SMILES for 1-iodophosphanyl-5-(trifluoromethyl)indazole-4-carbaldehyde is O=Cc1c(C(F)(F)F)ccc2c1cnn2PI.
What is the InChIKey of 1-iodophosphanyl-5-(trifluoromethyl)indazole-4-carbaldehyde?
The InChIKey is LPGLSVBTBNTNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3IN2OP/c10-9(11,12)7-1-2-8-5(6(7)4-16)3-14-15(8)17-13/h1-4,17H.
What are the key properties of 1-iodophosphanyl-5-(trifluoromethyl)indazole-4-carbaldehyde?
1-iodophosphanyl-5-(trifluoromethyl)indazole-4-carbaldehyde has a molecular weight of 372.02 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodophosphanyl-5-(trifluoromethyl)indazole-4-carbaldehyde is sourced from PubChem (CID 170283460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).