CID 11306426

C5H7Cl9N2OP2 — CID 11306426

IUPAC—
SMILESCN1C(=O)N(C)[P+](Cl)(Cl)C=C1Cl.Cl[P-](Cl)(Cl)(Cl)(Cl)Cl
InChIInChI=1S/C5H7Cl3N2OP.Cl6P/c1-9-4(6)3-12(7,8)10(2)5(9)11;1-7(2,3,4,5)6/h3H,1-2H3;/q+1;-1
InChIKeyIWRBIWBGXIJYFZ-UHFFFAOYSA-N
MW492.15 g/mol
LogP8.26
Rot. Bonds

About CID 11306426

CID 11306426 (PubChem CID 11306426) has the molecular formula C5H7Cl9N2OP2 and a molecular weight of 492.15 g/mol.

Molecular Properties

Compound NameCID 11306426
PubChem CID11306426
Molecular FormulaC5H7Cl9N2OP2
Molecular Weight492.15 g/mol
Exact Mass487.72
IUPAC Name—
SMILESCN1C(=O)N(C)[P+](Cl)(Cl)C=C1Cl.Cl[P-](Cl)(Cl)(Cl)(Cl)Cl
InChIInChI=1S/C5H7Cl3N2OP.Cl6P/c1-9-4(6)3-12(7,8)10(2)5(9)11;1-7(2,3,4,5)6/h3H,1-2H3;/q+1;-1
InChIKeyIWRBIWBGXIJYFZ-UHFFFAOYSA-N
XLogP8.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.15
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 11306426?
The IUPAC name of CID 11306426 (CID 11306426) is not available.
What is the SMILES notation for CID 11306426?
The canonical SMILES for CID 11306426 is CN1C(=O)N(C)[P+](Cl)(Cl)C=C1Cl.Cl[P-](Cl)(Cl)(Cl)(Cl)Cl.
What is the InChIKey of CID 11306426?
The InChIKey is IWRBIWBGXIJYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Cl3N2OP.Cl6P/c1-9-4(6)3-12(7,8)10(2)5(9)11;1-7(2,3,4,5)6/h3H,1-2H3;/q+1;-1.
What are the key properties of CID 11306426?
CID 11306426 has a molecular weight of 492.15 g/mol, XLogP of 8.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11306426 is sourced from PubChem (CID 11306426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).