2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid

C10H11N2O6P — CID 19084811

IUPAC2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid
SMILESO=C(O)C(O)(Cc1cnc2ccccn12)P(=O)(O)O
InChIInChI=1S/C10H11N2O6P/c13-9(14)10(15,19(16,17)18)5-7-6-11-8-3-1-2-4-12(7)8/h1-4,6,15H,5H2,(H,13,14)(H2,16,17,18)
InChIKeyXZINREBMYQRVSH-UHFFFAOYSA-N
MW286.18 g/mol
LogP-0.17
Rot. Bonds4

About 2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid

2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid (PubChem CID 19084811) has the molecular formula C10H11N2O6P and a molecular weight of 286.18 g/mol. Its IUPAC name is 2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid
PubChem CID19084811
Molecular FormulaC10H11N2O6P
Molecular Weight286.18 g/mol
Exact Mass286.04
IUPAC Name2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid
SMILESO=C(O)C(O)(Cc1cnc2ccccn12)P(=O)(O)O
InChIInChI=1S/C10H11N2O6P/c13-9(14)10(15,19(16,17)18)5-7-6-11-8-3-1-2-4-12(7)8/h1-4,6,15H,5H2,(H,13,14)(H2,16,17,18)
InChIKeyXZINREBMYQRVSH-UHFFFAOYSA-N
XLogP-0.17
TPSA132.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid?
The IUPAC name of 2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid (CID 19084811) is 2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid.
What is the SMILES notation for 2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid?
The canonical SMILES for 2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid is O=C(O)C(O)(Cc1cnc2ccccn12)P(=O)(O)O.
What is the InChIKey of 2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid?
The InChIKey is XZINREBMYQRVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N2O6P/c13-9(14)10(15,19(16,17)18)5-7-6-11-8-3-1-2-4-12(7)8/h1-4,6,15H,5H2,(H,13,14)(H2,16,17,18).
What are the key properties of 2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid?
2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid has a molecular weight of 286.18 g/mol, XLogP of -0.17, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid is sourced from PubChem (CID 19084811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).