[6-(furan-3-yl)-5-methylindazol-1-yl]-iodophosphane

C12H10IN2OP — CID 155468896

IUPAC[6-(furan-3-yl)-5-methylindazol-1-yl]-iodophosphane
SMILESCc1cc2cnn(PI)c2cc1-c1ccoc1
InChIInChI=1S/C12H10IN2OP/c1-8-4-10-6-14-15(17-13)12(10)5-11(8)9-2-3-16-7-9/h2-7,17H,1H3
InChIKeyHBMAWAFGUSMBGZ-UHFFFAOYSA-N
MW356.10 g/mol
LogP4.40
Rot. Bonds2

About [6-(furan-3-yl)-5-methylindazol-1-yl]-iodophosphane

[6-(furan-3-yl)-5-methylindazol-1-yl]-iodophosphane (PubChem CID 155468896) has the molecular formula C12H10IN2OP and a molecular weight of 356.10 g/mol. Its IUPAC name is [6-(furan-3-yl)-5-methylindazol-1-yl]-iodophosphane.

Molecular Properties

Compound Name[6-(furan-3-yl)-5-methylindazol-1-yl]-iodophosphane
PubChem CID155468896
Molecular FormulaC12H10IN2OP
Molecular Weight356.10 g/mol
Exact Mass355.96
IUPAC Name[6-(furan-3-yl)-5-methylindazol-1-yl]-iodophosphane
SMILESCc1cc2cnn(PI)c2cc1-c1ccoc1
InChIInChI=1S/C12H10IN2OP/c1-8-4-10-6-14-15(17-13)12(10)5-11(8)9-2-3-16-7-9/h2-7,17H,1H3
InChIKeyHBMAWAFGUSMBGZ-UHFFFAOYSA-N
XLogP4.40
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.10
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [6-(furan-3-yl)-5-methylindazol-1-yl]-iodophosphane?
The IUPAC name of [6-(furan-3-yl)-5-methylindazol-1-yl]-iodophosphane (CID 155468896) is [6-(furan-3-yl)-5-methylindazol-1-yl]-iodophosphane.
What is the SMILES notation for [6-(furan-3-yl)-5-methylindazol-1-yl]-iodophosphane?
The canonical SMILES for [6-(furan-3-yl)-5-methylindazol-1-yl]-iodophosphane is Cc1cc2cnn(PI)c2cc1-c1ccoc1.
What is the InChIKey of [6-(furan-3-yl)-5-methylindazol-1-yl]-iodophosphane?
The InChIKey is HBMAWAFGUSMBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10IN2OP/c1-8-4-10-6-14-15(17-13)12(10)5-11(8)9-2-3-16-7-9/h2-7,17H,1H3.
What are the key properties of [6-(furan-3-yl)-5-methylindazol-1-yl]-iodophosphane?
[6-(furan-3-yl)-5-methylindazol-1-yl]-iodophosphane has a molecular weight of 356.10 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(furan-3-yl)-5-methylindazol-1-yl]-iodophosphane is sourced from PubChem (CID 155468896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).