2-phosphanyl-4-(2H-tetrazol-5-yl)pentanoyl iodide

C6H10IN4OP — CID 174335955

IUPAC2-phosphanyl-4-(2H-tetrazol-5-yl)pentanoyl iodide
SMILESCC(CC(P)C(=O)I)c1nn[nH]n1
InChIInChI=1S/C6H10IN4OP/c1-3(2-4(13)5(7)12)6-8-10-11-9-6/h3-4H,2,13H2,1H3,(H,8,9,10,11)
InChIKeyFZMHIXXDSOUIRI-UHFFFAOYSA-N
MW312.05 g/mol
LogP0.90
Rot. Bonds4

About 2-phosphanyl-4-(2H-tetrazol-5-yl)pentanoyl iodide

2-phosphanyl-4-(2H-tetrazol-5-yl)pentanoyl iodide (PubChem CID 174335955) has the molecular formula C6H10IN4OP and a molecular weight of 312.05 g/mol. Its IUPAC name is 2-phosphanyl-4-(2H-tetrazol-5-yl)pentanoyl iodide.

Molecular Properties

Compound Name2-phosphanyl-4-(2H-tetrazol-5-yl)pentanoyl iodide
PubChem CID174335955
Molecular FormulaC6H10IN4OP
Molecular Weight312.05 g/mol
Exact Mass311.96
IUPAC Name2-phosphanyl-4-(2H-tetrazol-5-yl)pentanoyl iodide
SMILESCC(CC(P)C(=O)I)c1nn[nH]n1
InChIInChI=1S/C6H10IN4OP/c1-3(2-4(13)5(7)12)6-8-10-11-9-6/h3-4H,2,13H2,1H3,(H,8,9,10,11)
InChIKeyFZMHIXXDSOUIRI-UHFFFAOYSA-N
XLogP0.90
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.05
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', '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 2-phosphanyl-4-(2H-tetrazol-5-yl)pentanoyl iodide?
The IUPAC name of 2-phosphanyl-4-(2H-tetrazol-5-yl)pentanoyl iodide (CID 174335955) is 2-phosphanyl-4-(2H-tetrazol-5-yl)pentanoyl iodide.
What is the SMILES notation for 2-phosphanyl-4-(2H-tetrazol-5-yl)pentanoyl iodide?
The canonical SMILES for 2-phosphanyl-4-(2H-tetrazol-5-yl)pentanoyl iodide is CC(CC(P)C(=O)I)c1nn[nH]n1.
What is the InChIKey of 2-phosphanyl-4-(2H-tetrazol-5-yl)pentanoyl iodide?
The InChIKey is FZMHIXXDSOUIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10IN4OP/c1-3(2-4(13)5(7)12)6-8-10-11-9-6/h3-4H,2,13H2,1H3,(H,8,9,10,11).
What are the key properties of 2-phosphanyl-4-(2H-tetrazol-5-yl)pentanoyl iodide?
2-phosphanyl-4-(2H-tetrazol-5-yl)pentanoyl iodide has a molecular weight of 312.05 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphanyl-4-(2H-tetrazol-5-yl)pentanoyl iodide is sourced from PubChem (CID 174335955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).