5-dichlorophosphoryloxy-6,7-diphenylpyrrolo[1,2-b]pyridazine

C19H13Cl2N2O2P — CID 10763667

IUPAC5-dichlorophosphoryloxy-6,7-diphenylpyrrolo[1,2-b]pyridazine
SMILESO=P(Cl)(Cl)Oc1c(-c2ccccc2)c(-c2ccccc2)n2ncccc12
InChIInChI=1S/C19H13Cl2N2O2P/c20-26(21,24)25-19-16-12-7-13-22-23(16)18(15-10-5-2-6-11-15)17(19)14-8-3-1-4-9-14/h1-13H
InChIKeyPXWIEBGWWDVIMO-UHFFFAOYSA-N
MW403.21 g/mol
LogP6.63
Rot. Bonds4

About 5-dichlorophosphoryloxy-6,7-diphenylpyrrolo[1,2-b]pyridazine

5-dichlorophosphoryloxy-6,7-diphenylpyrrolo[1,2-b]pyridazine (PubChem CID 10763667) has the molecular formula C19H13Cl2N2O2P and a molecular weight of 403.21 g/mol. Its IUPAC name is 5-dichlorophosphoryloxy-6,7-diphenylpyrrolo[1,2-b]pyridazine.

Molecular Properties

Compound Name5-dichlorophosphoryloxy-6,7-diphenylpyrrolo[1,2-b]pyridazine
PubChem CID10763667
Molecular FormulaC19H13Cl2N2O2P
Molecular Weight403.21 g/mol
Exact Mass402.01
IUPAC Name5-dichlorophosphoryloxy-6,7-diphenylpyrrolo[1,2-b]pyridazine
SMILESO=P(Cl)(Cl)Oc1c(-c2ccccc2)c(-c2ccccc2)n2ncccc12
InChIInChI=1S/C19H13Cl2N2O2P/c20-26(21,24)25-19-16-12-7-13-22-23(16)18(15-10-5-2-6-11-15)17(19)14-8-3-1-4-9-14/h1-13H
InChIKeyPXWIEBGWWDVIMO-UHFFFAOYSA-N
XLogP6.63
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.21
LogP ≤ 56.63
H-Bond Donors ≤ 50
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 5-dichlorophosphoryloxy-6,7-diphenylpyrrolo[1,2-b]pyridazine?
The IUPAC name of 5-dichlorophosphoryloxy-6,7-diphenylpyrrolo[1,2-b]pyridazine (CID 10763667) is 5-dichlorophosphoryloxy-6,7-diphenylpyrrolo[1,2-b]pyridazine.
What is the SMILES notation for 5-dichlorophosphoryloxy-6,7-diphenylpyrrolo[1,2-b]pyridazine?
The canonical SMILES for 5-dichlorophosphoryloxy-6,7-diphenylpyrrolo[1,2-b]pyridazine is O=P(Cl)(Cl)Oc1c(-c2ccccc2)c(-c2ccccc2)n2ncccc12.
What is the InChIKey of 5-dichlorophosphoryloxy-6,7-diphenylpyrrolo[1,2-b]pyridazine?
The InChIKey is PXWIEBGWWDVIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N2O2P/c20-26(21,24)25-19-16-12-7-13-22-23(16)18(15-10-5-2-6-11-15)17(19)14-8-3-1-4-9-14/h1-13H.
What are the key properties of 5-dichlorophosphoryloxy-6,7-diphenylpyrrolo[1,2-b]pyridazine?
5-dichlorophosphoryloxy-6,7-diphenylpyrrolo[1,2-b]pyridazine has a molecular weight of 403.21 g/mol, XLogP of 6.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dichlorophosphoryloxy-6,7-diphenylpyrrolo[1,2-b]pyridazine is sourced from PubChem (CID 10763667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).