4-iodo-N,N-bis(phosphanyl)aniline

C6H8INP2 — CID 169286192

IUPAC4-iodo-N,N-bis(phosphanyl)aniline
SMILESPN(P)c1ccc(I)cc1
InChIInChI=1S/C6H8INP2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,9-10H2
InChIKeyXQTYYJDSWQVFQD-UHFFFAOYSA-N
MW282.99 g/mol
LogP2.68
Rot. Bonds1

About 4-iodo-N,N-bis(phosphanyl)aniline

4-iodo-N,N-bis(phosphanyl)aniline (PubChem CID 169286192) has the molecular formula C6H8INP2 and a molecular weight of 282.99 g/mol. Its IUPAC name is 4-iodo-N,N-bis(phosphanyl)aniline.

Molecular Properties

Compound Name4-iodo-N,N-bis(phosphanyl)aniline
PubChem CID169286192
Molecular FormulaC6H8INP2
Molecular Weight282.99 g/mol
Exact Mass282.92
IUPAC Name4-iodo-N,N-bis(phosphanyl)aniline
SMILESPN(P)c1ccc(I)cc1
InChIInChI=1S/C6H8INP2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,9-10H2
InChIKeyXQTYYJDSWQVFQD-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.99
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-iodo-N,N-bis(phosphanyl)aniline?
The IUPAC name of 4-iodo-N,N-bis(phosphanyl)aniline (CID 169286192) is 4-iodo-N,N-bis(phosphanyl)aniline.
What is the SMILES notation for 4-iodo-N,N-bis(phosphanyl)aniline?
The canonical SMILES for 4-iodo-N,N-bis(phosphanyl)aniline is PN(P)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N,N-bis(phosphanyl)aniline?
The InChIKey is XQTYYJDSWQVFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8INP2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,9-10H2.
What are the key properties of 4-iodo-N,N-bis(phosphanyl)aniline?
4-iodo-N,N-bis(phosphanyl)aniline has a molecular weight of 282.99 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N,N-bis(phosphanyl)aniline is sourced from PubChem (CID 169286192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).