[3-(4-fluorophenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl]methylphosphonic acid

C17H18FN2O3P — CID 70357988

IUPAC[3-(4-fluorophenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl]methylphosphonic acid
SMILESCC(C)n1c(CP(=O)(O)O)c(-c2ccc(F)cc2)c2cccnc21
InChIInChI=1S/C17H18FN2O3P/c1-11(2)20-15(10-24(21,22)23)16(12-5-7-13(18)8-6-12)14-4-3-9-19-17(14)20/h3-9,11H,10H2,1-2H3,(H2,21,22,23)
InChIKeyFHZPJIOLZVYXBU-UHFFFAOYSA-N
MW348.31 g/mol
LogP4.10
Rot. Bonds4

About [3-(4-fluorophenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl]methylphosphonic acid

[3-(4-fluorophenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl]methylphosphonic acid (PubChem CID 70357988) has the molecular formula C17H18FN2O3P and a molecular weight of 348.31 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl]methylphosphonic acid.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl]methylphosphonic acid
PubChem CID70357988
Molecular FormulaC17H18FN2O3P
Molecular Weight348.31 g/mol
Exact Mass348.10
IUPAC Name[3-(4-fluorophenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl]methylphosphonic acid
SMILESCC(C)n1c(CP(=O)(O)O)c(-c2ccc(F)cc2)c2cccnc21
InChIInChI=1S/C17H18FN2O3P/c1-11(2)20-15(10-24(21,22)23)16(12-5-7-13(18)8-6-12)14-4-3-9-19-17(14)20/h3-9,11H,10H2,1-2H3,(H2,21,22,23)
InChIKeyFHZPJIOLZVYXBU-UHFFFAOYSA-N
XLogP4.10
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 54.10
H-Bond Donors ≤ 52
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-(4-fluorophenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl]methylphosphonic acid?
The IUPAC name of [3-(4-fluorophenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl]methylphosphonic acid (CID 70357988) is [3-(4-fluorophenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl]methylphosphonic acid.
What is the SMILES notation for [3-(4-fluorophenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl]methylphosphonic acid?
The canonical SMILES for [3-(4-fluorophenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl]methylphosphonic acid is CC(C)n1c(CP(=O)(O)O)c(-c2ccc(F)cc2)c2cccnc21.
What is the InChIKey of [3-(4-fluorophenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl]methylphosphonic acid?
The InChIKey is FHZPJIOLZVYXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN2O3P/c1-11(2)20-15(10-24(21,22)23)16(12-5-7-13(18)8-6-12)14-4-3-9-19-17(14)20/h3-9,11H,10H2,1-2H3,(H2,21,22,23).
What are the key properties of [3-(4-fluorophenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl]methylphosphonic acid?
[3-(4-fluorophenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl]methylphosphonic acid has a molecular weight of 348.31 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl]methylphosphonic acid is sourced from PubChem (CID 70357988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).