[4-(2-fluoro-6-trimethylstannyl-3-pyridinyl)pyrazol-1-yl]-iodophosphane

C11H14FIN3PSn — CID 156845084

IUPAC[4-(2-fluoro-6-trimethylstannyl-3-pyridinyl)pyrazol-1-yl]-iodophosphane
SMILESC[Sn](C)(C)c1ccc(-c2cnn(PI)c2)c(F)n1
InChIInChI=1S/C8H5FIN3P.3CH3.Sn/c9-8-7(2-1-3-11-8)6-4-12-13(5-6)14-10;;;;/h1-2,4-5,14H;3*1H3;
InChIKeyHJXNPSPUPHSWBX-UHFFFAOYSA-N
MW483.84 g/mol
LogP3.42
Rot. Bonds3

About [4-(2-fluoro-6-trimethylstannyl-3-pyridinyl)pyrazol-1-yl]-iodophosphane

[4-(2-fluoro-6-trimethylstannyl-3-pyridinyl)pyrazol-1-yl]-iodophosphane (PubChem CID 156845084) has the molecular formula C11H14FIN3PSn and a molecular weight of 483.84 g/mol. Its IUPAC name is [4-(2-fluoro-6-trimethylstannyl-3-pyridinyl)pyrazol-1-yl]-iodophosphane.

Molecular Properties

Compound Name[4-(2-fluoro-6-trimethylstannyl-3-pyridinyl)pyrazol-1-yl]-iodophosphane
PubChem CID156845084
Molecular FormulaC11H14FIN3PSn
Molecular Weight483.84 g/mol
Exact Mass484.90
IUPAC Name[4-(2-fluoro-6-trimethylstannyl-3-pyridinyl)pyrazol-1-yl]-iodophosphane
SMILESC[Sn](C)(C)c1ccc(-c2cnn(PI)c2)c(F)n1
InChIInChI=1S/C8H5FIN3P.3CH3.Sn/c9-8-7(2-1-3-11-8)6-4-12-13(5-6)14-10;;;;/h1-2,4-5,14H;3*1H3;
InChIKeyHJXNPSPUPHSWBX-UHFFFAOYSA-N
XLogP3.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.84
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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 [4-(2-fluoro-6-trimethylstannyl-3-pyridinyl)pyrazol-1-yl]-iodophosphane?
The IUPAC name of [4-(2-fluoro-6-trimethylstannyl-3-pyridinyl)pyrazol-1-yl]-iodophosphane (CID 156845084) is [4-(2-fluoro-6-trimethylstannyl-3-pyridinyl)pyrazol-1-yl]-iodophosphane.
What is the SMILES notation for [4-(2-fluoro-6-trimethylstannyl-3-pyridinyl)pyrazol-1-yl]-iodophosphane?
The canonical SMILES for [4-(2-fluoro-6-trimethylstannyl-3-pyridinyl)pyrazol-1-yl]-iodophosphane is C[Sn](C)(C)c1ccc(-c2cnn(PI)c2)c(F)n1.
What is the InChIKey of [4-(2-fluoro-6-trimethylstannyl-3-pyridinyl)pyrazol-1-yl]-iodophosphane?
The InChIKey is HJXNPSPUPHSWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FIN3P.3CH3.Sn/c9-8-7(2-1-3-11-8)6-4-12-13(5-6)14-10;;;;/h1-2,4-5,14H;3*1H3;.
What are the key properties of [4-(2-fluoro-6-trimethylstannyl-3-pyridinyl)pyrazol-1-yl]-iodophosphane?
[4-(2-fluoro-6-trimethylstannyl-3-pyridinyl)pyrazol-1-yl]-iodophosphane has a molecular weight of 483.84 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoro-6-trimethylstannyl-3-pyridinyl)pyrazol-1-yl]-iodophosphane is sourced from PubChem (CID 156845084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).