(5-bromo-4-fluoroindazol-1-yl)-iodophosphane

C7H4BrFIN2P — CID 134171108

IUPAC(5-bromo-4-fluoroindazol-1-yl)-iodophosphane
SMILESFc1c(Br)ccc2c1cnn2PI
InChIInChI=1S/C7H4BrFIN2P/c8-5-1-2-6-4(7(5)9)3-11-12(6)13-10/h1-3,13H
InChIKeyXTJZNLRMSIILFF-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.73
Rot. Bonds1

About (5-bromo-4-fluoroindazol-1-yl)-iodophosphane

(5-bromo-4-fluoroindazol-1-yl)-iodophosphane (PubChem CID 134171108) has the molecular formula C7H4BrFIN2P and a molecular weight of 372.90 g/mol. Its IUPAC name is (5-bromo-4-fluoroindazol-1-yl)-iodophosphane.

Molecular Properties

Compound Name(5-bromo-4-fluoroindazol-1-yl)-iodophosphane
PubChem CID134171108
Molecular FormulaC7H4BrFIN2P
Molecular Weight372.90 g/mol
Exact Mass371.83
IUPAC Name(5-bromo-4-fluoroindazol-1-yl)-iodophosphane
SMILESFc1c(Br)ccc2c1cnn2PI
InChIInChI=1S/C7H4BrFIN2P/c8-5-1-2-6-4(7(5)9)3-11-12(6)13-10/h1-3,13H
InChIKeyXTJZNLRMSIILFF-UHFFFAOYSA-N
XLogP3.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-4-fluoroindazol-1-yl)-iodophosphane?
The IUPAC name of (5-bromo-4-fluoroindazol-1-yl)-iodophosphane (CID 134171108) is (5-bromo-4-fluoroindazol-1-yl)-iodophosphane.
What is the SMILES notation for (5-bromo-4-fluoroindazol-1-yl)-iodophosphane?
The canonical SMILES for (5-bromo-4-fluoroindazol-1-yl)-iodophosphane is Fc1c(Br)ccc2c1cnn2PI.
What is the InChIKey of (5-bromo-4-fluoroindazol-1-yl)-iodophosphane?
The InChIKey is XTJZNLRMSIILFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFIN2P/c8-5-1-2-6-4(7(5)9)3-11-12(6)13-10/h1-3,13H.
What are the key properties of (5-bromo-4-fluoroindazol-1-yl)-iodophosphane?
(5-bromo-4-fluoroindazol-1-yl)-iodophosphane has a molecular weight of 372.90 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-fluoroindazol-1-yl)-iodophosphane is sourced from PubChem (CID 134171108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).