phosphoryl trichloride;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one

C10H12Cl3N2O2P — CID 123568124

IUPACphosphoryl trichloride;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one
SMILESCC(C)N1C(=O)Cc2ccncc21.O=P(Cl)(Cl)Cl
InChIInChI=1S/C10H12N2O.Cl3OP/c1-7(2)12-9-6-11-4-3-8(9)5-10(12)13;1-5(2,3)4/h3-4,6-7H,5H2,1-2H3;
InChIKeyZOLCWSIFDGRJKB-UHFFFAOYSA-N
MW329.55 g/mol
LogP4.19
Rot. Bonds1

About phosphoryl trichloride;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one

phosphoryl trichloride;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one (PubChem CID 123568124) has the molecular formula C10H12Cl3N2O2P and a molecular weight of 329.55 g/mol. Its IUPAC name is phosphoryl trichloride;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one.

Molecular Properties

Compound Namephosphoryl trichloride;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one
PubChem CID123568124
Molecular FormulaC10H12Cl3N2O2P
Molecular Weight329.55 g/mol
Exact Mass327.97
IUPAC Namephosphoryl trichloride;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one
SMILESCC(C)N1C(=O)Cc2ccncc21.O=P(Cl)(Cl)Cl
InChIInChI=1S/C10H12N2O.Cl3OP/c1-7(2)12-9-6-11-4-3-8(9)5-10(12)13;1-5(2,3)4/h3-4,6-7H,5H2,1-2H3;
InChIKeyZOLCWSIFDGRJKB-UHFFFAOYSA-N
XLogP4.19
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.55
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phosphoryl trichloride;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one?
The IUPAC name of phosphoryl trichloride;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one (CID 123568124) is phosphoryl trichloride;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one.
What is the SMILES notation for phosphoryl trichloride;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one?
The canonical SMILES for phosphoryl trichloride;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one is CC(C)N1C(=O)Cc2ccncc21.O=P(Cl)(Cl)Cl.
What is the InChIKey of phosphoryl trichloride;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one?
The InChIKey is ZOLCWSIFDGRJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.Cl3OP/c1-7(2)12-9-6-11-4-3-8(9)5-10(12)13;1-5(2,3)4/h3-4,6-7H,5H2,1-2H3;.
What are the key properties of phosphoryl trichloride;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one?
phosphoryl trichloride;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one has a molecular weight of 329.55 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoryl trichloride;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one is sourced from PubChem (CID 123568124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).