[3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-phenylphosphinic acid

C21H16N3O3P — CID 135519383

IUPAC[3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-phenylphosphinic acid
SMILESO=P(O)(Oc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1)c1ccccc1
InChIInChI=1S/C21H16N3O3P/c25-28(26,16-7-2-1-3-8-16)27-15-10-11-19-17(13-15)21(24-23-19)20-12-14-6-4-5-9-18(14)22-20/h1-13,22H,(H,23,24)(H,25,26)
InChIKeyNHZWQXUXIJFNHF-UHFFFAOYSA-N
MW389.35 g/mol
LogP4.60
Rot. Bonds4

About [3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-phenylphosphinic acid

[3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-phenylphosphinic acid (PubChem CID 135519383) has the molecular formula C21H16N3O3P and a molecular weight of 389.35 g/mol. Its IUPAC name is [3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-phenylphosphinic acid.

Molecular Properties

Compound Name[3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-phenylphosphinic acid
PubChem CID135519383
Molecular FormulaC21H16N3O3P
Molecular Weight389.35 g/mol
Exact Mass389.09
IUPAC Name[3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-phenylphosphinic acid
SMILESO=P(O)(Oc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1)c1ccccc1
InChIInChI=1S/C21H16N3O3P/c25-28(26,16-7-2-1-3-8-16)27-15-10-11-19-17(13-15)21(24-23-19)20-12-14-6-4-5-9-18(14)22-20/h1-13,22H,(H,23,24)(H,25,26)
InChIKeyNHZWQXUXIJFNHF-UHFFFAOYSA-N
XLogP4.60
TPSA91.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.35
LogP ≤ 54.60
H-Bond Donors ≤ 53
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 [3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-phenylphosphinic acid?
The IUPAC name of [3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-phenylphosphinic acid (CID 135519383) is [3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-phenylphosphinic acid.
What is the SMILES notation for [3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-phenylphosphinic acid?
The canonical SMILES for [3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-phenylphosphinic acid is O=P(O)(Oc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1)c1ccccc1.
What is the InChIKey of [3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-phenylphosphinic acid?
The InChIKey is NHZWQXUXIJFNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N3O3P/c25-28(26,16-7-2-1-3-8-16)27-15-10-11-19-17(13-15)21(24-23-19)20-12-14-6-4-5-9-18(14)22-20/h1-13,22H,(H,23,24)(H,25,26).
What are the key properties of [3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-phenylphosphinic acid?
[3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-phenylphosphinic acid has a molecular weight of 389.35 g/mol, XLogP of 4.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-phenylphosphinic acid is sourced from PubChem (CID 135519383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).