2-[amino(ethoxy)phosphinothioyl]oxy-3,5-dichloropyridine

C7H9Cl2N2O2PS — CID 70227629

IUPAC2-[amino(ethoxy)phosphinothioyl]oxy-3,5-dichloropyridine
SMILESCCOP(N)(=S)Oc1ncc(Cl)cc1Cl
InChIInChI=1S/C7H9Cl2N2O2PS/c1-2-12-14(10,15)13-7-6(9)3-5(8)4-11-7/h3-4H,2H2,1H3,(H2,10,15)
InChIKeyBXSOBFDGEVBCRR-UHFFFAOYSA-N
MW287.11 g/mol
LogP2.99
Rot. Bonds4

About 2-[amino(ethoxy)phosphinothioyl]oxy-3,5-dichloropyridine

2-[amino(ethoxy)phosphinothioyl]oxy-3,5-dichloropyridine (PubChem CID 70227629) has the molecular formula C7H9Cl2N2O2PS and a molecular weight of 287.11 g/mol. Its IUPAC name is 2-[amino(ethoxy)phosphinothioyl]oxy-3,5-dichloropyridine.

Molecular Properties

Compound Name2-[amino(ethoxy)phosphinothioyl]oxy-3,5-dichloropyridine
PubChem CID70227629
Molecular FormulaC7H9Cl2N2O2PS
Molecular Weight287.11 g/mol
Exact Mass285.95
IUPAC Name2-[amino(ethoxy)phosphinothioyl]oxy-3,5-dichloropyridine
SMILESCCOP(N)(=S)Oc1ncc(Cl)cc1Cl
InChIInChI=1S/C7H9Cl2N2O2PS/c1-2-12-14(10,15)13-7-6(9)3-5(8)4-11-7/h3-4H,2H2,1H3,(H2,10,15)
InChIKeyBXSOBFDGEVBCRR-UHFFFAOYSA-N
XLogP2.99
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(ethoxy)phosphinothioyl]oxy-3,5-dichloropyridine?
The IUPAC name of 2-[amino(ethoxy)phosphinothioyl]oxy-3,5-dichloropyridine (CID 70227629) is 2-[amino(ethoxy)phosphinothioyl]oxy-3,5-dichloropyridine.
What is the SMILES notation for 2-[amino(ethoxy)phosphinothioyl]oxy-3,5-dichloropyridine?
The canonical SMILES for 2-[amino(ethoxy)phosphinothioyl]oxy-3,5-dichloropyridine is CCOP(N)(=S)Oc1ncc(Cl)cc1Cl.
What is the InChIKey of 2-[amino(ethoxy)phosphinothioyl]oxy-3,5-dichloropyridine?
The InChIKey is BXSOBFDGEVBCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N2O2PS/c1-2-12-14(10,15)13-7-6(9)3-5(8)4-11-7/h3-4H,2H2,1H3,(H2,10,15).
What are the key properties of 2-[amino(ethoxy)phosphinothioyl]oxy-3,5-dichloropyridine?
2-[amino(ethoxy)phosphinothioyl]oxy-3,5-dichloropyridine has a molecular weight of 287.11 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(ethoxy)phosphinothioyl]oxy-3,5-dichloropyridine is sourced from PubChem (CID 70227629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).